data_2m41_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 2m41 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.555 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 111.206 0.076 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.491 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.406 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.451 ' O ' HD12 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.513 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.555 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.565 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.637 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.539 ' CD1' HD13 ' A' ' 40' ' ' LEU . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.536 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.428 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.643 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.546 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.637 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.473 ' HB1' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' B' ' 687' ' ' THR . 17.8 mt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.473 HG12 ' HB1' ' B' ' 603' ' ' ALA . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG23 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 624' ' ' SER . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 622' ' ' SER . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.707 HG23 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.694 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.602 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 646' ' ' LEU . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.707 ' CD2' HG23 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.539 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.64 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.462 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.518 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.588 HE21 HG11 ' B' ' 653' ' ' VAL . 1.5 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.489 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 2.5 mm-40 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.496 ' HD2' HD11 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.544 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.68 ' O ' HG12 ' B' ' 616' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.64 ' O ' HG11 ' B' ' 653' ' ' VAL . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.694 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.462 HG13 ' N ' ' B' ' 654' ' ' PHE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.507 ' HA ' HG11 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.434 ' HG ' ' HD2' ' B' ' 572' ' ' PRO . 10.5 tp . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.595 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.595 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.5 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.49 HG13 HD12 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.498 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.496 ' OG1' HD13 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . 0.411 ' HA ' ' HG ' ' B' ' 602' ' ' SER . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.574 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' B' ' 599' ' ' PHE . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.453 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.624 0.25 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.463 HG21 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' B' ' 684' ' ' ILE . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' SER . . . . . 0.409 ' HB3' HG13 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.41 ' HB3' HG23 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.42 ' OG1' HG23 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.65 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.677 HG23 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.436 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' B' ' 614' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.557 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.431 HG21 HG12 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.436 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.431 HG12 HG21 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.659 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.499 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.595 HG13 HE21 ' B' ' 656' ' ' GLN . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.595 HE21 HG13 ' B' ' 653' ' ' VAL . 1.6 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.659 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.741 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.746 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 667' ' ' SER . . . . . . . . . . . . . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.0 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.746 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.563 HD22 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.406 ' HA ' HG21 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.65 ' O ' HG11 ' B' ' 616' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.444 ' O ' HG13 ' B' ' 653' ' ' VAL . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' B' ' 612' ' ' ASP . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.428 ' CD2' HD11 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.467 0.175 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.579 HD23 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG13 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD23 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.475 HG22 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.561 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.473 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.521 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.574 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 687' ' ' THR . 23.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' SER . . . . . 0.41 ' HB3' HG22 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.713 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.462 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.463 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.72 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.41 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.611 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.682 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.573 ' N ' HG13 ' B' ' 684' ' ' ILE . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.647 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.647 ' NE2' ' H ' ' B' ' 655' ' ' GLY . 2.1 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.611 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.501 HG22 ' SG ' ' B' ' 674' ' ' CYS . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.538 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.57 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.405 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.501 ' SG ' HG22 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 675' ' ' SER . . . . . 0.434 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . 0.42 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 678' ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.713 ' O ' HG11 ' B' ' 616' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.682 ' O ' HG11 ' B' ' 653' ' ' VAL . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.72 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.573 HG13 ' N ' ' B' ' 654' ' ' PHE . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.514 ' HB3' HD21 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' HD12 ' B' ' 688' ' ' LEU . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . 0.515 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.522 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.579 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.462 HD13 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.577 ' OG1' HD12 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.579 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.555 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.499 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' B' ' 688' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.65 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.425 ' HB2' HG12 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.638 HG23 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.474 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.595 HG11 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.655 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.444 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.427 ' HH ' ' HA ' ' A' ' 42' ' ' PRO . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.539 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.72 HG13 ' NE2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.532 ' HA ' ' CG1' ' B' ' 684' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.769 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.2 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . 0.419 ' SG ' HD22 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.783 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.707 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.783 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.623 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.623 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.783 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 675' ' ' SER . . . . . 0.429 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.419 HD22 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.65 ' O ' HG13 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.769 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.577 HD12 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.576 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . 0.494 ' HZ1' ' HB3' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' CB ' HD12 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.617 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.512 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' B' ' 672' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . 0.476 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.507 ' CD1' HD13 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.62 ' O ' HD11 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . 0.513 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.62 HD11 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.564 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.574 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.564 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' B' ' 686' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.574 HG12 ' CB ' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.507 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . 0.5 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.709 HG23 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.655 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . 0.5 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.425 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.59 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.42 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.509 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.726 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.2 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.78 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . 0.464 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.59 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.559 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . 0.415 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.522 ' CD2' ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.678 ' O ' HG13 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.694 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.582 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.55 HD12 ' OG1' ' B' ' 596' ' ' THR . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.456 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' HB3' HD21 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.637 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.514 ' O ' HG13 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.637 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.587 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.593 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.514 HG13 ' O ' ' B' ' 575' ' ' PHE . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.593 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.553 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.429 HD12 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.553 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.586 ' N ' HG22 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.778 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.482 ' HB2' HG12 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.435 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.622 HG13 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.437 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' B' ' 681' ' ' ASP . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.601 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.662 HE22 HG13 ' B' ' 682' ' ' VAL . 2.1 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.437 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . 0.458 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . 0.523 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.478 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.587 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.778 ' O ' HG13 ' B' ' 616' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.662 HG13 HE22 ' B' ' 656' ' ' GLN . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.601 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.583 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.429 HD13 HD12 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.502 ' HB3' HD23 ' B' ' 583' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.541 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.518 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.541 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.43 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . 0.412 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.503 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.681 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.502 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.518 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.614 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.681 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.498 HD11 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.428 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.614 HG12 ' CB ' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.637 ' N ' HG22 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.547 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 624' ' ' SER . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.413 ' H ' ' C ' ' B' ' 622' ' ' SER . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.492 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.676 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 646' ' ' LEU . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.452 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' B' ' 660' ' ' SER . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' B' ' 681' ' ' ASP . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.581 ' N ' HG13 ' B' ' 684' ' ' ILE . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.684 HE22 HG11 ' B' ' 682' ' ' VAL . 2.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.551 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.528 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.551 ' HA ' ' OG ' ' B' ' 667' ' ' SER . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 675' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.479 HG22 ' O ' ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.685 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.684 HG11 HE22 ' B' ' 656' ' ' GLN . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.581 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 685' ' ' SER . . . . . . . . . . . . . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.44 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.479 ' N ' HD21 ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.237 0.44 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.661 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' HA ' HG13 ' A' ' 41' ' ' VAL . 34.1 t-80 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.476 ' C ' HD22 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.413 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.419 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.563 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.465 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.495 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 575' ' ' PHE . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.497 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.423 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.564 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.661 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.564 HG12 ' CB ' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.55 ' N ' HG22 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.627 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . 0.418 ' HB3' HE21 ' B' ' 631' ' ' GLN . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.553 ' HB2' HG12 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.459 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.618 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 618' ' ' ARG . 9.8 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.688 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' SER . . . . . 0.434 ' HB3' HG23 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.452 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.607 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.674 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.427 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.613 HG11 HE21 ' B' ' 656' ' ' GLN . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.542 ' HA ' ' CG1' ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.65 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.2 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.416 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.674 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.706 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.853 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.572 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.552 ' CD2' ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.853 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.477 HD22 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.627 ' O ' HG13 ' B' ' 616' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.65 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.477 ' SG ' HD22 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.438 ' HB2' ' HB3' ' B' ' 612' ' ' ASP . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 38' ' ' HIS . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.265 0.079 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.667 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 . . . . . 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . 0.491 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.482 HG13 HD13 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.615 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.488 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.491 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.408 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.482 HD13 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.519 HG22 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.58 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.586 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.542 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.667 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.542 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.46 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.56 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.453 ' OG1' HG21 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.451 ' HB2' HG11 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' ' 622' ' ' SER . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 646' ' ' LEU . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.702 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.631 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.511 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.519 ' HA2' HG22 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.593 HE21 HG11 ' B' ' 653' ' ' VAL . 1.7 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' SER . . . . . 0.463 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . 0.477 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.46 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.3 mm100 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.6 ' O ' ' HB2' ' B' ' 577' ' ' LYS . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.489 ' HD2' HD21 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.432 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 675' ' ' SER . . . . . 0.463 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.685 ' O ' HG13 ' B' ' 616' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.631 ' O ' HG11 ' B' ' 653' ' ' VAL . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.511 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.428 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.625 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.474 ' O ' HG13 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.435 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.448 HD11 ' HZ2' ' B' ' 590' ' ' LYS . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . 0.562 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.448 ' HZ2' HD11 ' B' ' 580' ' ' ILE . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.474 HG13 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.562 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.52 ' OG1' HD13 ' B' ' 684' ' ' ILE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.516 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.639 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.6 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.546 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.6 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.625 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.546 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.595 ' N ' HG21 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.765 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.556 ' HB2' HG11 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.765 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.409 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.599 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.702 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 682' ' ' VAL . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.49 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.634 HE22 HG12 ' B' ' 682' ' ' VAL . 2.4 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.702 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.757 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . 0.436 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.715 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.607 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.495 HD13 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.427 HD22 HG21 ' B' ' 653' ' ' VAL . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.765 ' O ' HG13 ' B' ' 616' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.671 ' O ' HG13 ' B' ' 653' ' ' VAL . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.535 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.52 HD13 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.455 HD12 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.491 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.433 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.505 ' O ' HG13 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.518 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.589 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.428 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.428 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . 0.518 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . 0.503 ' HD3' HD21 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.505 HG13 ' O ' ' B' ' 575' ' ' PHE . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.548 ' CD1' HD13 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.491 ' OG1' HD12 ' B' ' 684' ' ' ILE . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.589 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.447 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.584 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.429 ' HA ' ' HB1' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.462 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.584 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 686' ' ' LEU . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.522 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.57 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.665 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.42 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.437 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.459 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.431 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.606 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 48.3 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.459 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.636 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.553 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 682' ' ' VAL . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.682 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.4 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.636 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.405 HG23 ' SG ' ' B' ' 674' ' ' CYS . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 8.7 mm-40 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.69 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 666' ' ' THR . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 675' ' ' SER . . . . . 0.426 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . 0.502 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 678' ' ' SER . . . . . 0.502 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.4 ' HA ' ' CG2' ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.665 ' O ' HG12 ' B' ' 616' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.682 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.5 HG13 ' N ' ' B' ' 654' ' ' PHE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.522 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.536 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.511 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.413 ' CB ' HD12 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.495 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.511 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.532 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.521 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.446 ' OG1' HD11 ' B' ' 684' ' ' ILE . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . 0.406 ' O ' HD12 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.62 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.589 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.62 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.401 ' HB2' HG23 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.589 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.529 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.495 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.741 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.498 ' HB2' HG11 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.685 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' B' ' 616' ' ' VAL . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.453 HG22 HG21 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.685 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.42 HG22 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.652 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . 0.422 ' HD2' ' SG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.975 HG13 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.547 ' HB3' HG12 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.436 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.975 ' NE2' HG13 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.652 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.423 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.42 ' HD3' HG22 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.527 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.741 ' O ' HG13 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.661 HG12 HE22 ' B' ' 656' ' ' GLN . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.446 HD11 ' OG1' ' B' ' 596' ' ' THR . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.529 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.401 HG23 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.469 ' N ' HD21 ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.31 0.1 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' CB ' HD22 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.634 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.58 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.442 ' O ' HG12 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.634 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . 0.514 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.58 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD12 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.593 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.514 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 40' ' ' LEU . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.532 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.661 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' SER . . . . . 0.593 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.59 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.661 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.554 HD12 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.59 HG12 ' CB ' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.504 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.754 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.493 ' HB2' HG12 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.706 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.762 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' B' ' 614' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.762 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' B' ' 627' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.545 HG11 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.706 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.422 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.636 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.674 HG13 ' O ' ' B' ' 682' ' ' VAL . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.413 ' N ' HG13 ' B' ' 684' ' ' ILE . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.532 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.756 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.4 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.636 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.454 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.404 HD22 HG22 ' B' ' 653' ' ' VAL . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.754 ' O ' HG13 ' B' ' 616' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.756 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.512 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.487 HD12 ' OG1' ' B' ' 596' ' ' THR . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.459 HD12 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.45 0.167 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.592 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.494 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . . . . . . . . . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.748 ' O ' HD12 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.43 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . 0.739 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.592 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.461 0.172 . . . . 0.0 111.409 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.424 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.592 HG12 ' CB ' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.495 ' OG1' HG23 ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.697 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.454 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.657 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . 0.422 HG13 ' N ' ' B' ' 646' ' ' LEU . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.715 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.663 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . 0.401 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.716 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . 0.47 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.435 ' HA2' HG22 ' B' ' 596' ' ' THR . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.716 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.8 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.663 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.425 HD13 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.425 ' HD2' HD13 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 678' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . 0.44 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.697 ' O ' HG11 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.611 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . 0.657 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.424 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.523 ' CZ2' HD21 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CB ' HD12 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 572' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 573' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG12 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 576' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 577' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 578' ' ' GLY . . . . . 0.546 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 579' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . 0.524 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 585' ' ' ASN . . . . . 0.432 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 589' ' ' LYS . . . . . 0.429 ' HZ2' ' HA ' ' B' ' 594' ' ' LEU . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' LYS . . . . . 0.546 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' THR . . . . . 0.662 ' O ' HD11 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . 0.524 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' ILE . . . . . 0.662 HD11 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' GLN . . . . . 0.559 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' LEU . . . . . 0.523 HD21 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' SER . . . . . 0.524 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' GLU . . . . . 0.487 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' VAL . . . . . 0.657 HG23 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' PHE . . . . . 0.627 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' GLN . . . . . 0.627 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . 0.657 ' CD2' HG23 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' VAL . . . . . 0.685 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' PRO . . . . . 0.57 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . 0.612 HG11 HE21 ' B' ' 656' ' ' GLN . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.758 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.3 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' CYS . . . . . 0.685 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' PRO . . . . . 0.477 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 665' ' ' ARG . . . . . 0.58 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 666' ' ' THR . . . . . 0.498 HG23 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 667' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 669' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 671' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 672' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 673' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 674' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 666' ' ' THR . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 681' ' ' ASP . . . . . 0.645 ' O ' HG13 ' B' ' 616' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 682' ' ' VAL . . . . . 0.758 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 684' ' ' ILE . . . . . 0.542 HD13 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 686' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 687' ' ' THR . . . . . 0.426 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 688' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 689' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG11 HD21 ' B' ' 588' ' ' LEU . 13.8 m . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.372 0.606 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 -121.4 138.34 28.08 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 173.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.555 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -115.86 135.59 53.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -79.99 40.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.443 0.64 . . . . 0.0 110.463 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 71.73 159.03 0.16 Allowed Pre-proline 0 N--CA 1.464 0.24 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.791 -170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -51.03 102.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.601 2.201 . . . . 0.0 111.819 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 p -70.81 161.97 30.0 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.05 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.758 -178.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.599 0.238 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -86.93 167.42 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.769 2.313 . . . . 0.0 112.035 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -51.84 -56.11 3.27 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.619 2.213 . . . . 0.0 111.27 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 21.1 p -126.77 -177.31 3.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.118 171.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER -63.69 171.33 2.39 Favored Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 122.065 0.146 . . . . 0.0 111.206 176.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.491 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.406 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.451 ' O ' HD12 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.513 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.555 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.565 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.637 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.511 HD21 HG11 ' A' ' 34' ' ' VAL . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.539 ' CD1' HD13 ' A' ' 40' ' ' LEU . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.536 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.428 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.643 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.546 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.637 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.473 ' HB1' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt -64.8 -24.45 35.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.2 m -97.13 159.85 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -115.36 -14.67 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 111.087 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -93.18 -1.96 55.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.473 0.654 . . . . 0.0 109.255 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' B' ' 687' ' ' THR . 17.8 mt -129.16 149.84 50.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.114 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.473 HG12 ' HB1' ' B' ' 603' ' ' ALA . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG23 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 624' ' ' SER . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 622' ' ' SER . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.707 HG23 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.694 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.602 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 646' ' ' LEU . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.707 ' CD2' HG23 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.539 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.64 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.462 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.518 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.588 HE21 HG11 ' B' ' 653' ' ' VAL . 1.5 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.489 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 2.5 mm-40 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.496 ' HD2' HD11 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.544 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.68 ' O ' HG12 ' B' ' 616' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.64 ' O ' HG11 ' B' ' 653' ' ' VAL . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.694 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.462 HG13 ' N ' ' B' ' 654' ' ' PHE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG12 HD22 ' B' ' 588' ' ' LEU . 14.1 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.277 0.561 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 -124.58 137.0 28.56 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.942 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.507 ' HA ' HG11 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -117.46 98.08 6.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD21 ' N ' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -60.75 120.56 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.944 173.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' N ' HD21 ' A' ' 44' ' ' LEU . . . -53.69 131.73 55.93 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.412 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.06 127.36 21.51 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.971 2.447 . . . . 0.0 111.713 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' B' ' 641' ' ' VAL . 64.3 p -56.56 122.58 12.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.048 -173.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.929 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.577 0.227 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.17 145.7 39.58 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 571' ' ' LEU . 97.0 Cg_endo -83.4 16.79 1.8 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.105 2.537 . . . . 0.0 113.637 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.0 m 71.51 -5.13 1.68 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.147 0.975 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' B' ' 569' ' ' PRO . 10.5 tp -78.33 146.18 69.9 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.135 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.595 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.595 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.5 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.49 HG13 HD12 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.498 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.501 HD22 HG12 ' A' ' 34' ' ' VAL . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.496 ' OG1' HD13 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . 0.411 ' HA ' ' HG ' ' B' ' 602' ' ' SER . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.574 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' B' ' 599' ' ' PHE . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.453 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -68.74 -15.24 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.7 m -109.53 168.58 9.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.702 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -111.15 -27.33 8.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.826 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.93 -21.23 31.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? -101.87 151.53 21.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.853 174.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.463 HG21 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' B' ' 684' ' ' ILE . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' SER . . . . . 0.409 ' HB3' HG13 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.41 ' HB3' HG23 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.42 ' OG1' HG23 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.65 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.677 HG23 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.436 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.476 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.557 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 47' ' ' SER . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.431 HG21 HG12 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.436 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.431 HG12 HG21 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.659 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.499 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.595 HG13 HE21 ' B' ' 656' ' ' GLN . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.595 HE21 HG13 ' B' ' 653' ' ' VAL . 1.6 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.659 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.741 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.746 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' SER . . . . . . . . . . . . . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.0 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.746 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.563 HD22 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.406 ' HA ' HG21 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.65 ' O ' HG11 ' B' ' 616' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.444 ' O ' HG13 ' B' ' 653' ' ' VAL . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' B' ' 612' ' ' ASP . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.428 ' CD2' HD11 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' B' ' 582' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.507 0.67 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -109.65 146.23 33.61 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.291 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -143.77 124.01 13.78 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -70.0 161.67 29.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' HD22 ' A' ' 44' ' ' LEU . . . -45.58 140.0 4.52 Favored Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.243 0.339 . . . . 0.0 111.849 -174.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -23.25 97.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 125.491 4.127 . . . . 0.0 114.422 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -72.72 -68.75 0.45 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.668 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.506 -177.315 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.592 0.234 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.21 156.34 25.92 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.455 2.103 . . . . 0.0 111.692 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.81 -59.13 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.79 2.327 . . . . 0.0 112.113 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -129.11 128.05 42.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.184 0.516 . . . . 0.0 111.244 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.579 HD23 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? -98.88 166.29 13.39 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.574 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG13 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD23 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.414 ' HB2' HG23 ' A' ' 34' ' ' VAL . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 34' ' ' VAL . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.475 HG22 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.561 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.473 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.521 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.574 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt -69.37 -15.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 42.3 m -97.36 157.02 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.87 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -114.36 -12.81 12.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -106.26 7.98 31.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.059 0.456 . . . . 0.0 110.187 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 687' ' ' THR . 23.7 mt -135.78 153.26 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.517 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' SER . . . . . 0.41 ' HB3' HG22 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.713 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.462 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.463 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.72 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.41 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.611 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.682 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.573 ' N ' HG13 ' B' ' 684' ' ' ILE . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.647 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.647 ' NE2' ' H ' ' B' ' 655' ' ' GLY . 2.1 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.611 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.501 HG22 ' SG ' ' B' ' 674' ' ' CYS . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.538 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.57 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.405 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.501 ' SG ' HG22 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' SER . . . . . 0.434 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . 0.42 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.469 HD23 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 678' ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.713 ' O ' HG11 ' B' ' 616' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.682 ' O ' HG11 ' B' ' 653' ' ' VAL . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.72 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.573 HG13 ' N ' ' B' ' 654' ' ' PHE . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 35' ' ' PHE . 7.2 p . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.266 0.555 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' N ' HG21 ' A' ' 34' ' ' VAL . 68.7 m-85 -139.73 158.18 68.46 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.486 -177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.514 ' HB3' HD21 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' HD12 ' B' ' 688' ' ' LEU . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.695 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 76.8 t80 -127.06 -12.97 5.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 pp 60.13 -63.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.387 1.475 . . . . 0.0 111.964 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' H ' ' HG ' ' A' ' 44' ' ' LEU . . . -177.83 165.07 1.28 Allowed Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.62 93.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.379 2.053 . . . . 0.0 111.854 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' HB3' ' CG1' ' B' ' 634' ' ' VAL . 14.6 m -65.74 116.91 7.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.509 177.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -80.12 141.95 15.0 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.371 2.047 . . . . 0.0 112.856 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.69 82.28 2.45 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.743 2.296 . . . . 0.0 111.314 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.3 m -65.77 -32.64 74.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.041 0.924 . . . . 0.0 110.254 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.29 162.36 19.98 Favored Pre-proline 0 C--N 1.307 -1.272 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.586 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.515 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.522 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.579 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.462 HD13 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.577 ' OG1' HD12 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.579 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.555 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.499 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.08 -30.63 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 31.2 m -92.6 171.27 9.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.994 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -119.21 -32.55 4.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.075 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 -31.38 63.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' B' ' 688' ' ' LEU . 0.3 OUTLIER -100.87 150.7 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.661 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.65 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.425 ' HB2' HG12 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.638 HG23 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 47' ' ' SER . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.568 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.474 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.595 HG11 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.655 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.444 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.427 ' HH ' ' HA ' ' A' ' 42' ' ' PRO . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.539 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.72 HG13 ' NE2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.532 ' HA ' ' CG1' ' B' ' 684' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.769 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.2 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . 0.419 ' SG ' HD22 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.783 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.707 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.783 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.623 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.623 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.783 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' SER . . . . . 0.429 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.419 HD22 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.65 ' O ' HG13 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.769 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.577 HD12 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.576 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.494 ' HZ1' ' HB3' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG12 HD22 ' B' ' 588' ' ' LEU . 8.6 m . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.201 0.524 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 -120.31 132.3 24.16 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.608 173.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.466 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' CB ' HD12 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -118.15 146.83 43.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD21 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -82.69 29.68 0.44 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -174.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 44' ' ' LEU . . . 76.45 157.91 0.15 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.813 -170.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 87.5 Cg_exo -49.22 115.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.403 2.069 . . . . 0.0 112.316 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -66.06 105.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.335 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 17.9 pt20 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.659 0.266 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 150.71 31.48 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.743 2.296 . . . . 0.0 111.742 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -65.94 82.43 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.773 2.315 . . . . 0.0 112.108 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 p -77.11 138.14 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.583 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 16.9 mt -99.47 161.68 23.75 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.816 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.617 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.512 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.465 HD22 HG12 ' A' ' 34' ' ' VAL . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' B' ' 672' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.476 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.507 ' CD1' HD13 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.62 ' O ' HD11 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . 0.513 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.62 HD11 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.564 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.574 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.564 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt -72.69 -48.17 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' SER . . . . . 0.413 ' OG ' ' HB3' ' B' ' 584' ' ' ALA . 53.6 m -92.75 103.91 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.584 0.23 . . . . 0.0 110.454 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -60.17 -24.66 64.93 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 5.3 m-20 -65.25 -21.83 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.266 0.555 . . . . 0.0 110.375 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' B' ' 686' ' ' LEU . 1.6 mm? -110.11 158.55 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.574 HG12 ' CB ' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.507 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . 0.5 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.709 HG23 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.655 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . 0.5 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.425 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.59 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.42 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.509 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.726 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.2 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.78 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . 0.464 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.59 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.559 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . 0.415 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.522 ' CD2' ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.678 ' O ' HG13 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.694 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.582 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.55 HD12 ' OG1' ' B' ' 596' ' ' THR . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.65 ' CB ' HD13 ' A' ' 44' ' ' LEU . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.456 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' B' ' 608' ' ' ASP . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.431 HG11 HD21 ' B' ' 588' ' ' LEU . 6.9 m . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 -119.59 137.95 26.09 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.697 169.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' HB3' HD21 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -145.9 143.63 29.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' H ' ' HB2' ' B' ' 685' ' ' SER . 0.0 OUTLIER -80.33 161.51 25.01 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.82 131.52 8.6 Favored Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -41.12 103.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.964 3.109 . . . . 0.0 113.121 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.1 p -80.32 -78.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.705 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.803 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.62 154.67 54.81 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.777 2.318 . . . . 0.0 112.251 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.64 35.98 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.891 2.394 . . . . 0.0 111.821 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.1 p 49.07 -170.1 0.02 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.155 0.982 . . . . 0.0 112.9 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.24 152.83 40.54 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.046 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.637 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.514 ' O ' HG13 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.637 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.587 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.422 HG22 HG13 ' A' ' 34' ' ' VAL . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.593 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.431 HD21 HG11 ' A' ' 34' ' ' VAL . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.514 HG13 ' O ' ' B' ' 575' ' ' PHE . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.593 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.553 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -69.03 -51.32 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 59.2 m -91.43 112.47 24.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.384 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.83 -22.22 66.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.85 -20.54 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 0.0 110.395 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.429 HD12 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? -110.34 167.95 9.82 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.911 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.553 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.586 ' N ' HG22 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.778 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.482 ' HB2' HG12 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' SER . . . . . 0.473 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.435 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.622 HG13 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.437 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' B' ' 681' ' ' ASP . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.601 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.662 HE22 HG13 ' B' ' 682' ' ' VAL . 2.1 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.437 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . 0.458 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . 0.523 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.478 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.587 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.778 ' O ' HG13 ' B' ' 616' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.662 HG13 HE22 ' B' ' 656' ' ' GLN . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.601 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.583 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.429 HD13 HD12 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.263 0.554 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.33 153.5 76.43 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.362 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.502 ' HB3' HD23 ' B' ' 583' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -121.32 139.73 53.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.635 ' O ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.46 40.3 0.29 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.563 -177.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 75.51 159.48 0.16 Allowed Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.482 0.713 . . . . 0.0 109.567 -169.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.11 99.21 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.388 2.059 . . . . 0.0 112.706 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.418 ' OG ' HD12 ' A' ' 44' ' ' LEU . 12.4 m -55.98 156.83 4.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.348 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.476 178.406 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -78.7 161.58 27.57 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.573 2.182 . . . . 0.0 112.39 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.8 -50.24 7.41 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 123.127 2.551 . . . . 0.0 112.474 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 5.2 m 71.17 150.63 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.813 0.816 . . . . 0.0 111.288 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp -116.52 164.26 18.99 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.386 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.541 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.518 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.541 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.43 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . 0.412 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.503 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.681 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.502 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.518 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.614 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.681 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt -64.39 -23.56 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 69.7 m 55.63 79.29 0.16 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.194 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 3.7 t-20 -106.07 62.9 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 171.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 16.9 m-20 66.61 35.54 5.29 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.78 -172.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.498 HD11 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt -149.14 129.55 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.791 -171.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.428 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.614 HG12 ' CB ' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.637 ' N ' HG22 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.547 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 624' ' ' SER . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.413 ' H ' ' C ' ' B' ' 622' ' ' SER . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.492 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.676 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 646' ' ' LEU . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.452 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' B' ' 660' ' ' SER . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' B' ' 681' ' ' ASP . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.581 ' N ' HG13 ' B' ' 684' ' ' ILE . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.684 HE22 HG11 ' B' ' 682' ' ' VAL . 2.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.551 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.528 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.551 ' HA ' ' OG ' ' B' ' 667' ' ' SER . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.479 HG22 ' O ' ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.685 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.684 HG11 HE22 ' B' ' 656' ' ' GLN . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.581 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.603 ' CB ' HD11 ' A' ' 44' ' ' LEU . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.44 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.479 ' N ' HD21 ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.58 HG13 ' O ' ' B' ' 580' ' ' ILE . 22.2 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.104 0.478 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.32 159.74 28.69 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.185 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.661 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' HA ' HG13 ' A' ' 41' ' ' VAL . 34.1 t-80 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.476 ' C ' HD22 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.413 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -135.52 119.1 16.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD11 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -53.39 -40.37 64.99 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -165.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' N ' HD21 ' A' ' 44' ' ' LEU . . . 164.43 154.15 0.06 OUTLIER Pre-proline 0 C--N 1.31 -1.111 0 O-C-N 124.265 0.978 . . . . 0.0 109.171 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.13 97.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.322 2.015 . . . . 0.0 110.267 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -66.91 125.04 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 -170.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.551 -177.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.51 160.54 25.43 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.06 68.6 5.78 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.838 2.358 . . . . 0.0 111.739 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 19.5 p -62.21 139.24 58.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.429 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.419 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp 58.56 165.14 0.08 OUTLIER Pre-proline 0 N--CA 1.441 -0.913 0 C-N-CA 123.673 0.789 . . . . 0.0 112.388 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.563 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 34' ' ' VAL . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.465 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.495 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 575' ' ' PHE . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.497 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.423 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.652 ' O ' ' HB2' ' B' ' 606' ' ' SER . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt -58.87 -52.75 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' B' ' 603' ' ' ALA . 8.4 t 56.74 -167.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 163.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.7 t30 166.79 -38.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 112.348 -2.206 . . . . 0.0 106.076 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.533 ' H ' HD22 ' B' ' 609' ' ' LEU . 12.8 m-20 -145.59 4.69 1.03 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.827 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.661 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.77 152.95 28.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -168.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.564 HG12 ' CB ' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.55 ' N ' HG22 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.627 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . 0.418 ' HB3' HE21 ' B' ' 631' ' ' GLN . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.553 ' HB2' HG12 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.459 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.618 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 618' ' ' ARG . 9.8 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.688 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' SER . . . . . 0.434 ' HB3' HG23 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.452 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.607 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.674 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.427 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.613 HG11 HE21 ' B' ' 656' ' ' GLN . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.542 ' HA ' ' CG1' ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.65 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.2 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.416 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.674 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.706 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.853 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.572 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.552 ' CD2' ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.853 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.477 HD22 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.627 ' O ' HG13 ' B' ' 616' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.65 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.477 ' SG ' HD22 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.536 ' OG ' HD11 ' A' ' 44' ' ' LEU . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 38' ' ' HIS . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 580' ' ' ILE . 21.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.062 0.458 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -103.83 154.69 37.84 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.149 -165.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.667 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -139.94 112.63 7.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.594 HD11 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -64.83 157.73 26.97 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' O ' HD23 ' A' ' 44' ' ' LEU . . . -49.02 140.37 11.6 Favored Pre-proline 0 N--CA 1.467 0.39 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 128.37 6.73 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.743 2.962 . . . . 0.0 112.616 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.425 ' HA ' HG23 ' B' ' 641' ' ' VAL . 2.9 p -63.77 100.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.25 -179.081 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.699 0.285 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.52 144.42 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.171 1.914 . . . . 0.0 111.987 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.11 7.56 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.782 2.322 . . . . 0.0 112.125 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.0 p 48.66 -161.33 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.993 0.917 . . . . 0.0 112.071 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER -67.36 164.83 33.78 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.491 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 34' ' ' VAL . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.482 HG13 HD13 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.615 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.488 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.454 HD21 HG11 ' A' ' 34' ' ' VAL . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.491 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.408 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.482 HD13 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.519 HG22 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.58 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.586 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.542 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.73 -18.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' B' ' 607' ' ' ASN . 85.8 p 67.87 157.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.098 -1.41 . . . . 0.0 114.134 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 606' ' ' SER . 2.4 t30 173.48 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.763 175.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.497 ' H ' HD22 ' B' ' 609' ' ' LEU . 26.6 m-20 -140.24 2.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.703 174.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.667 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -111.56 156.01 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -170.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.542 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.46 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.56 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.453 ' OG1' HG21 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.451 ' HB2' HG11 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' ' 622' ' ' SER . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 47' ' ' SER . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 646' ' ' LEU . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.702 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.631 HG11 ' O ' ' B' ' 682' ' ' VAL . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.511 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.519 ' HA2' HG22 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.593 HE21 HG11 ' B' ' 653' ' ' VAL . 1.7 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' SER . . . . . 0.463 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . 0.477 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.46 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.3 mm100 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.6 ' O ' ' HB2' ' B' ' 577' ' ' LYS . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.489 ' HD2' HD21 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.432 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' SER . . . . . 0.463 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.685 ' O ' HG13 ' B' ' 616' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.631 ' O ' HG11 ' B' ' 653' ' ' VAL . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.511 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.594 ' OG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.428 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 HD21 ' B' ' 588' ' ' LEU . 11.1 m . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.375 0.607 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 -108.28 141.08 22.44 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.518 171.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.625 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -80.82 109.45 15.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' B' ' 632' ' ' PHE . 6.4 tp -54.14 147.95 12.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.916 174.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.66 120.75 82.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.64 124.52 16.0 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.999 2.466 . . . . 0.0 112.628 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -85.52 -39.7 17.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.412 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.092 -178.64 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.69 153.44 33.92 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.534 2.156 . . . . 0.0 111.486 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.48 -3.78 13.69 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.702 2.268 . . . . 0.0 112.036 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 23.2 p -117.57 134.97 54.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.558 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt -72.49 148.12 90.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.477 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.474 ' O ' HG13 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.435 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.448 HD11 ' HZ2' ' B' ' 590' ' ' LYS . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.484 HD21 HG11 ' A' ' 34' ' ' VAL . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.562 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.448 ' HZ2' HD11 ' B' ' 580' ' ' ILE . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.474 HG13 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.562 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.52 ' OG1' HD13 ' B' ' 684' ' ' ILE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.516 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.639 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.6 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.546 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.6 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt -65.74 -8.87 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 48.8 m 59.75 74.1 0.46 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.746 163.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 7.9 t-20 -114.12 50.04 0.96 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 607' ' ' ASN . 48.9 m-20 80.51 9.35 1.22 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.541 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.625 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.018 -0.427 . . . . 0.0 111.112 178.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.546 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.595 ' N ' HG21 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.765 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.556 ' HB2' HG11 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.765 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.409 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.599 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.702 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 682' ' ' VAL . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.49 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.634 HE22 HG12 ' B' ' 682' ' ' VAL . 2.4 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.702 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.757 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . 0.436 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.715 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.607 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.495 HD13 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.427 HD22 HG21 ' B' ' 653' ' ' VAL . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.765 ' O ' HG13 ' B' ' 616' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.671 ' O ' HG13 ' B' ' 653' ' ' VAL . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.535 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.52 HD13 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.455 HD12 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.068 0.461 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 -93.15 142.35 25.22 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.422 -169.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.491 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.433 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -147.17 129.97 16.14 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.15 98.59 2.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.258 1.028 . . . . 0.0 110.132 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . 63.23 -175.22 0.03 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.751 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 75.8 Cg_exo -53.62 -34.45 73.46 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.597 1.532 . . . . 0.0 112.178 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 46' ' ' PRO . 74.7 p 53.54 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.17 0.988 . . . . 0.0 113.092 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.708 176.535 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.827 0.346 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.22 150.68 33.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.926 2.418 . . . . 0.0 111.789 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.16 -166.97 0.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.901 2.401 . . . . 0.0 112.43 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 8.5 m -76.4 -18.7 58.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.187 0.994 . . . . 0.0 110.077 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt -77.93 153.07 80.26 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.455 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.505 ' O ' HG13 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.518 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.589 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.428 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.428 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.518 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.503 ' HD3' HD21 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.505 HG13 ' O ' ' B' ' 575' ' ' PHE . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.548 ' CD1' HD13 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.491 ' OG1' HD12 ' B' ' 684' ' ' ILE . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.589 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.447 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.584 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.429 ' HA ' ' HB1' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.462 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.584 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt -70.75 -24.13 24.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.9 m -92.2 -33.68 14.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.0 t30 74.81 -46.15 0.59 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.119 0.568 . . . . 0.0 111.304 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 9.6 m-20 -67.72 -29.51 68.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.202 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? -93.71 137.13 33.28 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.599 171.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 686' ' ' LEU . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.522 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.57 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.665 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.42 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.437 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.459 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.431 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.606 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 48.3 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.459 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.636 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.553 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 682' ' ' VAL . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.682 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.4 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.636 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.405 HG23 ' SG ' ' B' ' 674' ' ' CYS . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 8.7 mm-40 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.69 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 666' ' ' THR . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' SER . . . . . 0.426 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . 0.502 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 678' ' ' SER . . . . . 0.502 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.4 ' HA ' ' CG2' ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.665 ' O ' HG12 ' B' ' 616' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.682 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.5 HG13 ' N ' ' B' ' 654' ' ' PHE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.522 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.536 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.57 HG23 ' OE1' ' B' ' 582' ' ' GLN . 27.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 -124.71 137.13 28.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.904 169.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.511 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.413 ' CB ' HD12 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -57.55 120.51 8.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.67 111.58 3.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.971 0.891 . . . . 0.0 110.501 -174.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' HB2' ' CD ' ' A' ' 46' ' ' PRO . . . 57.25 -166.62 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.129 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' HB2' ' A' ' 45' ' ' ALA . 8.2 Cg_exo -77.31 20.74 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 121.495 1.464 . . . . 0.0 111.74 166.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 45' ' ' ALA . 39.4 t 62.71 -88.26 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.353 0.661 . . . . 0.0 110.605 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.436 -1.141 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.865 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.647 0.26 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.43 153.35 35.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.795 2.33 . . . . 0.0 112.218 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.11 82.8 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.725 2.283 . . . . 0.0 111.884 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 16.7 p -66.97 129.42 39.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.681 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.64 163.3 52.42 Favored Pre-proline 0 N--CA 1.438 -1.062 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.368 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.495 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.511 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.532 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.461 HD23 HG12 ' A' ' 34' ' ' VAL . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.521 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.446 ' OG1' HD11 ' B' ' 684' ' ' ILE . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . 0.406 ' O ' HD12 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.62 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.589 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.62 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt -70.96 -8.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 76.6 p 54.08 90.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.715 -1.129 . . . . 0.0 113.65 165.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -128.88 61.56 1.51 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 66.44 35.36 5.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.817 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt -146.61 134.68 21.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 -172.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.401 ' HB2' HG23 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.589 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.529 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.495 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.741 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.498 ' HB2' HG11 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.685 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.506 ' CD2' HD23 ' A' ' 44' ' ' LEU . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.453 HG22 HG21 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.685 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.42 HG22 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.652 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . 0.422 ' HD2' ' SG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.975 HG13 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.547 ' HB3' HG12 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.436 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.975 ' NE2' HG13 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.652 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.423 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.42 ' HD3' HG22 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.527 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.741 ' O ' HG13 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.661 HG12 HE22 ' B' ' 656' ' ' GLN . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.446 HD11 ' OG1' ' B' ' 596' ' ' THR . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.529 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.401 HG23 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.469 ' N ' HD21 ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' B' ' 582' ' ' GLN . 3.6 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.305 0.574 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -130.79 144.11 52.11 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.978 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' CB ' HD22 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -88.14 98.98 11.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -55.13 122.53 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.161 172.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.554 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -57.99 134.56 83.8 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.82 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.61 135.81 48.81 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.2 2.6 . . . . 0.0 112.623 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' B' ' 634' ' ' VAL . 35.3 p -65.78 134.5 53.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.64 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.918 0.762 . . . . 0.0 110.879 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.15 146.73 28.99 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.741 2.294 . . . . 0.0 112.496 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.61 65.46 7.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.872 2.381 . . . . 0.0 111.414 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 18.6 p -68.56 129.99 41.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.268 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt -81.19 156.51 71.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.315 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.634 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.58 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.442 ' O ' HG12 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.634 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.514 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.58 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD12 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.593 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.514 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 40' ' ' LEU . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.532 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.661 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.593 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.59 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.661 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt -64.16 -16.68 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.4 m 71.03 105.39 0.06 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.236 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -154.73 51.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.434 ' C ' ' HG ' ' B' ' 609' ' ' LEU . 20.6 m-20 67.17 35.07 4.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.043 -175.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.554 HD12 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt -152.54 131.07 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.439 -172.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.59 HG12 ' CB ' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.504 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.754 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.493 ' HB2' HG12 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.706 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.762 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.463 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.762 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' B' ' 627' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.545 HG11 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.706 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.422 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.636 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.674 HG13 ' O ' ' B' ' 682' ' ' VAL . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.413 ' N ' HG13 ' B' ' 684' ' ' ILE . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.532 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.756 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.4 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.636 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' B' ' 668' ' ' GLN . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.454 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.404 HD22 HG22 ' B' ' 653' ' ' VAL . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.754 ' O ' HG13 ' B' ' 616' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.756 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.512 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.487 HD12 ' OG1' ' B' ' 596' ' ' THR . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.459 HD12 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 35' ' ' PHE . 13.7 p . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.948 0.404 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 34' ' ' VAL . 84.2 m-85 -135.87 146.86 58.69 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.8 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.592 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.49 116.11 12.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 156.19 27.71 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.45 124.71 5.93 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -34.39 106.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.384 3.39 . . . . 0.0 113.24 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' HB3' HG11 ' B' ' 634' ' ' VAL . 5.8 m -58.88 124.98 21.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.495 -175.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.855 -178.636 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.618 0.247 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.5 158.74 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.361 2.041 . . . . 0.0 111.954 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.87 -58.53 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.813 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 20.6 p -103.08 153.59 20.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.82 159.34 76.59 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.494 ' HB2' ' OD1' ' B' ' 585' ' ' ASN . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . . . . . . . . . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.748 ' O ' HD12 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.43 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . 0.739 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt -58.8 -36.44 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 8.6 t 63.27 90.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.863 -1.062 . . . . 0.0 113.468 163.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . 0.586 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 65.3 t30 -101.37 59.09 0.88 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' B' ' 607' ' ' ASN . 12.5 m-20 80.5 18.93 0.56 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.426 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.592 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.1 161.87 16.04 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.409 176.343 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.424 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.592 HG12 ' CB ' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.495 ' OG1' HG23 ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.697 HG11 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.454 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.657 ' HE1' ' SG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 47' ' ' SER . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.553 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . 0.422 HG13 ' N ' ' B' ' 646' ' ' LEU . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.715 ' CD2' HG21 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.663 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . 0.401 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.716 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . 0.47 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.435 ' HA2' HG22 ' B' ' 596' ' ' THR . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.716 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.8 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.663 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.425 HD13 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.425 ' HD2' HD13 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 678' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . 0.44 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.697 ' O ' HG11 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.611 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . 0.657 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.424 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 HG11 HD23 ' B' ' 588' ' ' LEU . 4.4 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.188 0.518 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 -119.35 142.99 33.45 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.375 174.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.523 ' CZ2' HD21 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CB ' HD12 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -101.01 76.87 1.78 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -52.28 124.27 12.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.201 173.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.588 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -51.15 105.29 0.5 Allowed Pre-proline 0 C--N 1.332 -0.191 0 O-C-N 123.488 0.493 . . . . 0.0 109.817 175.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 55.84 5.14 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.982 2.454 . . . . 0.0 112.68 -170.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.525 ' HB3' ' HB ' ' B' ' 634' ' ' VAL . 68.1 p 56.47 -174.42 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.225 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.958 -178.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.717 0.294 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.43 159.2 40.06 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.665 2.243 . . . . 0.0 111.551 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.17 125.3 10.72 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.396 2.064 . . . . 0.0 111.342 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 m 70.48 159.06 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.319 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt -83.15 170.01 15.8 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG12 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' GLY . . . . . 0.546 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 34' ' ' VAL . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . 0.524 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' ASN . . . . . 0.432 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' LEU . . . . . 0.504 HD23 HG11 ' A' ' 34' ' ' VAL . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.429 ' HZ2' ' HA ' ' B' ' 594' ' ' LEU . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' LYS . . . . . 0.546 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' THR . . . . . 0.662 ' O ' HD11 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . 0.524 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' ILE . . . . . 0.662 HD11 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' GLN . . . . . 0.559 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt -58.74 -25.29 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 49.1 m 74.31 156.77 0.18 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 114.703 -1.135 . . . . 0.0 113.149 167.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 57.0 t30 172.56 -61.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.421 -1.263 . . . . 0.0 107.799 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 14.8 m-20 -157.26 34.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.717 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' LEU . . . . . 0.523 HD21 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -138.34 159.81 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.332 -165.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' SER . . . . . 0.524 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.487 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' VAL . . . . . 0.657 HG23 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' PHE . . . . . 0.627 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 47' ' ' SER . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' GLN . . . . . 0.627 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 47' ' ' SER . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . 0.657 ' CD2' HG23 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' VAL . . . . . 0.685 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' PRO . . . . . 0.57 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . 0.612 HG11 HE21 ' B' ' 656' ' ' GLN . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.758 ' NE2' HG11 ' B' ' 682' ' ' VAL . 2.3 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' CYS . . . . . 0.685 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' PRO . . . . . 0.477 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' ARG . . . . . 0.58 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' THR . . . . . 0.498 HG23 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 666' ' ' THR . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 681' ' ' ASP . . . . . 0.645 ' O ' HG13 ' B' ' 616' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 682' ' ' VAL . . . . . 0.758 HG11 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 684' ' ' ILE . . . . . 0.542 HD13 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 686' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 687' ' ' THR . . . . . 0.426 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 688' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.579 HD11 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 111.206 0.076 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.416 ' HA ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD11 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.525 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.558 HG13 HD11 ' B' ' 594' ' ' LEU . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.644 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' LEU . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.558 HD11 HG13 ' B' ' 581' ' ' ILE . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 600' ' ' ILE . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' HD11 ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.538 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.8 mt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.541 ' OG1' HG22 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 629' ' ' VAL . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.554 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.732 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.494 HG22 HG23 ' B' ' 645' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.494 HG23 HG22 ' B' ' 643' ' ' VAL . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.559 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.964 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.463 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.634 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.6 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.468 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.468 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.541 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.964 ' HB3' HG11 ' B' ' 653' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.541 HG22 ' OG1' ' B' ' 615' ' ' THR . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.732 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 611' ' ' ILE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.479 ' HG ' ' HD2' ' B' ' 572' ' ' PRO . 10.5 tp . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.591 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.51 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 580' ' ' ILE . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' B' ' 587' ' ' GLU . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.503 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 599' ' ' PHE . . . . . 0.405 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.443 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.624 0.25 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.508 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 613' ' ' SER . . . . . 0.433 ' HB3' HG11 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.42 ' HB3' HG22 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 617' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' B' ' 629' ' ' VAL . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.464 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.507 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 614' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.472 HG22 HG13 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.464 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.472 HG13 HG22 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.665 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.402 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.471 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 649' ' ' TYR . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.809 HG11 ' HB3' ' B' ' 681' ' ' ASP . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' B' ' 684' ' ' ILE . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.568 ' HB2' HG12 ' B' ' 653' ' ' VAL . 27.2 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.665 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.739 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.9 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 667' ' ' SER . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.546 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.618 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.809 ' HB3' HG11 ' B' ' 653' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.435 HG22 ' OG1' ' B' ' 615' ' ' THR . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.546 ' SG ' HD21 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 611' ' ' ILE . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.549 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.465 HD13 HD11 ' B' ' 609' ' ' LEU . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.467 0.175 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' HB2' HD21 ' B' ' 688' ' ' LEU . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.597 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.597 ' O ' HD21 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.576 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.53 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.488 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.529 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.613 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 23.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 613' ' ' SER . . . . . 0.44 ' HB3' HG21 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.722 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.484 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.479 HG22 ' HG ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.462 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.932 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 638' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 638' ' ' ARG . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.479 ' HG ' HG22 ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.632 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 1.0 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.799 ' HB3' HG13 ' B' ' 682' ' ' VAL . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.702 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.9 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.632 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 659' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 664' ' ' GLU . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.48 ' HA ' ' CD2' ' B' ' 670' ' ' PHE . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 670' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.419 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.407 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 675' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 676' ' ' LYS . . . . . 0.443 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 678' ' ' SER . . . . . 0.443 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 1.0 ' HB3' HG11 ' B' ' 653' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.932 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.576 HD11 ' OG1' ' B' ' 596' ' ' THR . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.542 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.469 HD13 HD21 ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.576 ' HB3' HD23 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.643 ' HA ' HG12 ' A' ' 41' ' ' VAL . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' B' ' 581' ' ' ILE . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 578' ' ' GLY . . . . . 0.534 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.493 HG13 HD11 ' B' ' 594' ' ' LEU . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 588' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 590' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.597 ' OG1' HD11 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.594 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.544 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 610' ' ' LYS . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.464 HD12 HD23 ' B' ' 688' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.552 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.534 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 619' ' ' ILE . . . . . 0.43 HG12 HG23 ' B' ' 630' ' ' ILE . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.43 HG23 HG12 ' B' ' 619' ' ' ILE . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.486 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.537 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.615 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.439 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.605 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.679 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.541 ' O ' HD11 ' B' ' 600' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.531 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.679 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.4 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 659' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 661' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.788 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.714 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.789 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 670' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.789 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 675' ' ' SER . . . . . 0.439 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.656 ' O ' HG12 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.597 HD11 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.465 ' HB3' ' NZ ' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.477 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 38' ' ' HIS . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 671' ' ' ASP . 16.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.411 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.475 HG13 HD11 ' B' ' 594' ' ' LEU . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.628 ' HB2' HD12 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.53 HG13 HD13 ' A' ' 40' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.498 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.639 ' O ' HD13 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.639 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.558 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.75 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.45 ' HB3' HD11 ' B' ' 686' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.483 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.75 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.689 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 617' ' ' GLU . . . . . 0.505 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.749 ' HB2' HG13 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.665 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.505 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.454 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.687 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.598 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.459 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.737 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.426 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.578 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.737 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.1 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.498 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.758 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.598 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.565 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.581 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.482 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 670' ' ' PHE . . . . . 0.411 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.581 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.535 HD22 ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.758 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.689 ' O ' HG12 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.566 ' HB ' ' OE1' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.562 HG23 HG23 ' B' ' 611' ' ' ILE . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.465 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HG13 ' B' ' 591' ' ' VAL . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.627 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.522 ' HA ' ' OG ' ' B' ' 579' ' ' SER . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.441 HG13 HD11 ' B' ' 594' ' ' LEU . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.423 ' HB3' ' CA ' ' B' ' 602' ' ' SER . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 40' ' ' LEU . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.451 HG21 ' HA2' ' B' ' 655' ' ' GLY . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.676 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.568 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.423 ' CA ' ' HB3' ' B' ' 584' ' ' ALA . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.688 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.547 HD11 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.542 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.688 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.615 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.649 ' N ' HG23 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.784 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.507 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.647 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 642' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.475 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.647 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.458 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.904 HG11 ' HB3' ' B' ' 681' ' ' ASP . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.61 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.742 ' OE1' HG12 ' B' ' 653' ' ' VAL . 27.7 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 661' ' ' CYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' B' ' 664' ' ' GLU . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.594 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.493 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.414 ' H ' HG12 ' B' ' 679' ' ' VAL . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.904 ' HB3' HG11 ' B' ' 653' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.649 HG23 ' N ' ' B' ' 614' ' ' SER . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.61 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.615 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.547 HD13 HD11 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' HD11 ' B' ' 688' ' ' LEU . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.521 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 589' ' ' LYS . . . . . 0.602 ' HD2' HD23 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 592' ' ' GLU . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 593' ' ' ASP . . . . . 0.415 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.602 HD23 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 595' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.45 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.531 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.569 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.536 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.65 ' N ' HG23 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.732 HG22 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.687 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.687 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' B' ' 651' ' ' PHE . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.732 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.562 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 651' ' ' PHE . . . . . 0.414 ' CE1' HG11 ' B' ' 645' ' ' VAL . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.953 HG11 ' HB2' ' B' ' 681' ' ' ASP . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.63 ' HB3' HG13 ' B' ' 682' ' ' VAL . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.724 ' OE1' HG12 ' B' ' 653' ' ' VAL . 28.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 659' ' ' SER . . . . . 0.507 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 661' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 672' ' ' LEU . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 675' ' ' SER . . . . . 0.507 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.56 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.953 ' HB2' HG11 ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.65 HG23 ' N ' ' B' ' 614' ' ' SER . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.591 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 685' ' ' SER . . . . . . . . . . . . . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.494 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.237 0.44 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.689 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HA ' HG12 ' A' ' 41' ' ' VAL . 31.7 t60 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.487 ' C ' HD23 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.544 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 574' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.559 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' B' ' 588' ' ' LEU . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.488 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.507 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 588' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 580' ' ' ILE . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 589' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.64 ' HB ' HD21 ' B' ' 672' ' ' LEU . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.511 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.507 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.689 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.56 ' N ' HG23 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 617' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.676 ' HB2' HG13 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.466 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.599 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.676 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.7 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' B' ' 614' ' ' SER . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 642' ' ' SER . . . . . 0.451 ' HB3' HG21 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.533 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.599 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.682 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.449 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.514 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.643 ' OE1' HG12 ' B' ' 653' ' ' VAL . 2.7 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.682 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.701 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.86 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.576 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.969 HD22 ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.969 ' HD2' HD22 ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.86 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.476 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.905 ' HB3' HG11 ' B' ' 653' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.662 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.476 ' SG ' HD21 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.54 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' B' ' 612' ' ' ASP . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.499 HD22 HD12 ' B' ' 609' ' ' LEU . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.265 0.079 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.69 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB3' HD23 ' A' ' 40' ' ' LEU . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 . . . . . 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.457 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' B' ' 571' ' ' LEU . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 578' ' ' GLY . . . . . 0.524 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' B' ' 590' ' ' LYS . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.63 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.501 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 590' ' ' LYS . . . . . 0.524 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.445 ' HB3' ' HG2' ' B' ' 673' ' ' PRO . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.535 HG21 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.545 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.6 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.69 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.46 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.6 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.565 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.479 ' OG1' HG22 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 618' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 622' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 623' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.682 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.499 HG22 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 638' ' ' ARG . . . . . 0.595 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.682 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.672 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.941 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.522 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.633 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.4 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 659' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 661' ' ' CYS . . . . . 0.491 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.6 mm-40 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' B' ' 667' ' ' SER . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 675' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 676' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.941 ' HB3' HG11 ' B' ' 653' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.479 HG22 ' OG1' ' B' ' 615' ' ' THR . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.642 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' B' ' 688' ' ' LEU . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 HD12 ' B' ' 581' ' ' ILE . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.627 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 574' ' ' TYR . . . . . 0.628 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.484 ' O ' HG11 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.627 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 602' ' ' SER . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.439 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 589' ' ' LYS . . . . . 0.568 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.484 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.568 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.641 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.59 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.59 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.642 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 613' ' ' SER . . . . . 0.497 ' HB3' HG21 ' B' ' 682' ' ' VAL . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.675 ' N ' HG23 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.772 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 617' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.665 ' HB2' HG13 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 625' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.635 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.473 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.779 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.422 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.463 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.5 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.721 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 1.006 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.634 ' HB3' HG13 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.732 ' OE1' HG12 ' B' ' 653' ' ' VAL . 27.1 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.721 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.754 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 664' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.627 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 1.006 ' HB3' HG11 ' B' ' 653' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.675 HG23 ' N ' ' B' ' 614' ' ' SER . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.531 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.527 HD11 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.462 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB3' HD23 ' B' ' 583' ' ' LEU . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.557 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 574' ' ' TYR . . . . . 0.402 ' HD1' ' CD2' ' A' ' 35' ' ' PHE . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.519 ' O ' HG11 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.623 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.524 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.508 HG13 HD11 ' B' ' 594' ' ' LEU . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 588' ' ' LEU . . . . . 0.524 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 589' ' ' LYS . . . . . 0.54 ' HD3' HD23 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 40' ' ' LEU . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.515 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.627 ' HB3' HD13 ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 599' ' ' PHE . . . . . 0.4 ' HA ' ' OG ' ' B' ' 602' ' ' SER . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.46 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.495 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 684' ' ' ILE . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.579 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 619' ' ' ILE . . . . . 0.438 HG12 HG23 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.438 HG23 HG12 ' B' ' 619' ' ' ILE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 633' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 638' ' ' ARG . . . . . 0.434 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.6 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.495 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.642 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.557 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.949 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.503 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.515 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.596 ' OE1' HG12 ' B' ' 653' ' ' VAL . 3.1 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 659' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 7.4 mm100 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 675' ' ' SER . . . . . 0.445 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 676' ' ' LYS . . . . . 0.523 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 678' ' ' SER . . . . . 0.523 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.6 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.949 ' HB3' HG11 ' B' ' 653' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.634 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 611' ' ' ILE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CB ' HD11 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 574' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.534 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.516 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 590' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.516 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.473 HG21 ' CA ' ' B' ' 655' ' ' GLY . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.425 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 599' ' ' PHE . . . . . 0.411 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' B' ' 597' ' ' GLU . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.612 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.529 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.757 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.403 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 616' ' ' VAL . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.544 HG22 HG23 ' B' ' 645' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.471 HG23 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.667 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 651' ' ' PHE . . . . . 0.693 ' HD2' ' HG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.989 HG12 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.672 ' HB3' HG13 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.473 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.989 ' NE2' HG12 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.667 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.45 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.471 ' HD3' HG23 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.409 HG21 ' HG3' ' B' ' 650' ' ' PRO . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' B' ' 673' ' ' PRO . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.459 ' HD2' HD12 ' B' ' 672' ' ' LEU . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.757 ' O ' HG12 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.693 ' HG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.476 HG23 HG23 ' B' ' 611' ' ' ILE . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.442 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.419 HG22 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.476 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.31 0.1 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.637 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CB ' HD21 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.621 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.621 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' B' ' 671' ' ' ASP . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 578' ' ' GLY . . . . . 0.539 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.553 HG13 HD11 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.604 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 590' ' ' LYS . . . . . 0.539 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.553 HD11 HG13 ' B' ' 581' ' ' ILE . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.619 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.654 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 602' ' ' SER . . . . . 0.604 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.722 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.637 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.532 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.764 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 634' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' B' ' 614' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.778 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.487 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 645' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.675 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.426 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.648 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 1.008 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' B' ' 682' ' ' VAL . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.619 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.626 ' OE1' HG12 ' B' ' 653' ' ' VAL . 2.7 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.648 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 1.008 ' HB3' HG11 ' B' ' 653' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.565 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.57 HG23 HG23 ' B' ' 611' ' ' ILE . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.494 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.45 0.167 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 582' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 588' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 40' ' ' LEU . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 595' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.79 ' O ' HD13 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.79 HD13 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.706 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 604' ' ' GLU . . . . . 0.736 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.61 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.461 0.172 . . . . 0.0 111.409 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.465 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.706 HG12 ' HB3' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.586 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.705 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 619' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.478 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 625' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.705 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.678 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.68 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.729 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 654' ' ' PHE . . . . . 0.465 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.533 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.729 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.7 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.68 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.412 HG21 ' HG3' ' B' ' 650' ' ' PRO . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 668' ' ' GLN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.653 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.471 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.471 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 677' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 678' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.705 ' O ' HG12 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.705 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.533 HD11 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.586 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 38' ' ' HIS . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' HD22 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' CB ' HD11 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 571' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 572' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 575' ' ' PHE . . . . . 0.44 ' O ' HG11 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 576' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 577' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 578' ' ' GLY . . . . . 0.532 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 585' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 590' ' ' LYS . . . . . 0.532 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 591' ' ' VAL . . . . . 0.44 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 592' ' ' GLU . . . . . 0.482 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' THR . . . . . 0.71 ' O ' HD13 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 597' ' ' GLU . . . . . 0.466 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 598' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 600' ' ' ILE . . . . . 0.71 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 603' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 609' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 610' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 612' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 614' ' ' SER . . . . . 0.521 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 615' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 619' ' ' ILE . . . . . 0.403 HG12 HG23 ' B' ' 630' ' ' ILE . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 620' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 627' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 629' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 630' ' ' ILE . . . . . 0.479 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 631' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 632' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 640' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 641' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 647' ' ' VAL . . . . . 0.692 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 649' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 650' ' ' PRO . . . . . 0.595 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 651' ' ' PHE . . . . . 0.44 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.876 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 655' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.588 ' OE1' HG13 ' B' ' 682' ' ' VAL . 2.6 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 660' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 661' ' ' CYS . . . . . 0.459 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 662' ' ' CYS . . . . . 0.692 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 663' ' ' PRO . . . . . 0.499 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 666' ' ' THR . . . . . 0.478 HG21 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 667' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 671' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 672' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 673' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 674' ' ' CYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 679' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 680' ' ' GLY . . . . . 0.41 ' H ' HG13 ' B' ' 616' ' ' VAL . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 681' ' ' ASP . . . . . 0.876 ' HB3' HG11 ' B' ' 653' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 682' ' ' VAL . . . . . 0.658 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 683' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' B' ' 653' ' ' VAL . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 684' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 685' ' ' SER . . . . . 0.59 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 686' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 687' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 688' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 689' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.739 HG11 HD22 ' B' ' 588' ' ' LEU . 13.8 m . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.372 0.606 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 -121.4 138.34 28.08 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 173.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -115.86 135.59 53.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.692 ' O ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -79.99 40.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.443 0.64 . . . . 0.0 110.463 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 71.73 159.03 0.16 Allowed Pre-proline 0 N--CA 1.464 0.24 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.791 -170.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -51.03 102.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.601 2.201 . . . . 0.0 111.819 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 p -70.81 161.97 30.0 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.05 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.758 -178.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.599 0.238 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -86.93 167.42 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.769 2.313 . . . . 0.0 112.035 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -51.84 -56.11 3.27 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.619 2.213 . . . . 0.0 111.27 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 21.1 p -126.77 -177.31 3.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.118 171.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.579 HD11 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER -63.69 171.33 2.39 Favored Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 122.065 0.146 . . . . 0.0 111.206 176.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.416 ' HA ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD11 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.525 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.558 HG13 HD11 ' B' ' 594' ' ' LEU . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.644 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.739 HD22 HG11 ' A' ' 34' ' ' VAL . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' LEU . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.558 HD11 HG13 ' B' ' 581' ' ' ILE . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 600' ' ' ILE . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' HD11 ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.538 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt -64.8 -24.45 35.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.2 m -97.13 159.85 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -115.36 -14.67 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 111.087 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -93.18 -1.96 55.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.473 0.654 . . . . 0.0 109.255 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.8 mt -129.16 149.84 50.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.114 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.541 ' OG1' HG22 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 629' ' ' VAL . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.554 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.732 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.494 HG22 HG23 ' B' ' 645' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.494 HG23 HG22 ' B' ' 643' ' ' VAL . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.559 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.964 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.463 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.634 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.6 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.468 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.468 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.541 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.964 ' HB3' HG11 ' B' ' 653' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.541 HG22 ' OG1' ' B' ' 615' ' ' THR . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.732 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 611' ' ' ILE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.643 HG11 HD22 ' B' ' 588' ' ' LEU . 14.1 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.277 0.561 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 -124.58 137.0 28.56 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.942 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -117.46 98.08 6.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -60.75 120.56 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.944 173.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -53.69 131.73 55.93 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.412 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.06 127.36 21.51 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.971 2.447 . . . . 0.0 111.713 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.493 ' HB3' ' CB ' ' B' ' 634' ' ' VAL . 64.3 p -56.56 122.58 12.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.048 -173.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.929 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.577 0.227 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.17 145.7 39.58 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 571' ' ' LEU . 97.0 Cg_endo -83.4 16.79 1.8 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.105 2.537 . . . . 0.0 113.637 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.0 m 71.51 -5.13 1.68 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.147 0.975 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.479 ' HG ' ' HD2' ' B' ' 572' ' ' PRO . 10.5 tp -78.33 146.18 69.9 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.135 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.591 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.51 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 580' ' ' ILE . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' B' ' 587' ' ' GLU . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.643 HD22 HG11 ' A' ' 34' ' ' VAL . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.503 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 599' ' ' PHE . . . . . 0.405 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.443 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -68.74 -15.24 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.7 m -109.53 168.58 9.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.702 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -111.15 -27.33 8.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.826 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.93 -21.23 31.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? -101.87 151.53 21.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.853 174.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.508 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 613' ' ' SER . . . . . 0.433 ' HB3' HG11 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.42 ' HB3' HG22 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' B' ' 629' ' ' VAL . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.464 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.507 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.493 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.472 HG22 HG13 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.464 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.472 HG13 HG22 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.665 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.402 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.471 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 649' ' ' TYR . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.809 HG11 ' HB3' ' B' ' 681' ' ' ASP . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' B' ' 684' ' ' ILE . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.568 ' HB2' HG12 ' B' ' 653' ' ' VAL . 27.2 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.665 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.739 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.9 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 667' ' ' SER . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.546 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.618 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.809 ' HB3' HG11 ' B' ' 653' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.435 HG22 ' OG1' ' B' ' 615' ' ' THR . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.546 ' SG ' HD21 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 611' ' ' ILE . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.549 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.465 HD13 HD11 ' B' ' 609' ' ' LEU . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 588' ' ' LEU . 2.4 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.507 0.67 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -109.65 146.23 33.61 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.291 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' HB2' HD21 ' B' ' 688' ' ' LEU . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -143.77 124.01 13.78 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -70.0 161.67 29.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HD22 ' A' ' 44' ' ' LEU . . . -45.58 140.0 4.52 Favored Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.243 0.339 . . . . 0.0 111.849 -174.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -23.25 97.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 125.491 4.127 . . . . 0.0 114.422 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -72.72 -68.75 0.45 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.668 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.506 -177.315 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.592 0.234 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.21 156.34 25.92 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.455 2.103 . . . . 0.0 111.692 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.81 -59.13 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.79 2.327 . . . . 0.0 112.113 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -129.11 128.05 42.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.184 0.516 . . . . 0.0 111.244 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.597 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? -98.88 166.29 13.39 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.574 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.597 ' O ' HD21 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.433 ' HB2' HG21 ' A' ' 34' ' ' VAL . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 34' ' ' VAL . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.576 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.53 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.488 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.529 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.613 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt -69.37 -15.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 606' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' B' ' 609' ' ' LEU . 42.3 m -97.36 157.02 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.87 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -114.36 -12.81 12.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -106.26 7.98 31.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.059 0.456 . . . . 0.0 110.187 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 23.7 mt -135.78 153.26 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.517 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 613' ' ' SER . . . . . 0.44 ' HB3' HG21 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.722 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.484 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.479 HG22 ' HG ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.462 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.932 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 638' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 638' ' ' ARG . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.479 ' HG ' HG22 ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.632 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 1.0 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.799 ' HB3' HG13 ' B' ' 682' ' ' VAL . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.702 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.9 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.632 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 659' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 664' ' ' GLU . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.48 ' HA ' ' CD2' ' B' ' 670' ' ' PHE . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 670' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.419 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.407 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 676' ' ' LYS . . . . . 0.443 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 678' ' ' SER . . . . . 0.443 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 1.0 ' HB3' HG11 ' B' ' 653' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.932 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.576 HD11 ' OG1' ' B' ' 596' ' ' THR . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.542 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.469 HD13 HD21 ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.266 0.555 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -139.73 158.18 68.46 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.486 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.576 ' HB3' HD23 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.643 ' HA ' HG12 ' A' ' 41' ' ' VAL . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' B' ' 581' ' ' ILE . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.709 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 76.8 t80 -127.06 -12.97 5.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 pp 60.13 -63.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.387 1.475 . . . . 0.0 111.964 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' H ' ' HG ' ' A' ' 44' ' ' LEU . . . -177.83 165.07 1.28 Allowed Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.62 93.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.379 2.053 . . . . 0.0 111.854 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' HB3' ' CG1' ' B' ' 634' ' ' VAL . 14.6 m -65.74 116.91 7.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.509 177.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -80.12 141.95 15.0 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.371 2.047 . . . . 0.0 112.856 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.69 82.28 2.45 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.743 2.296 . . . . 0.0 111.314 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.3 m -65.77 -32.64 74.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.041 0.924 . . . . 0.0 110.254 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.29 162.36 19.98 Favored Pre-proline 0 C--N 1.307 -1.272 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.586 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.534 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.493 HG13 HD11 ' B' ' 594' ' ' LEU . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 590' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.597 ' OG1' HD11 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.594 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.544 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 610' ' ' LYS . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.08 -30.63 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 31.2 m -92.6 171.27 9.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.994 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -119.21 -32.55 4.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.075 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 -31.38 63.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.464 HD12 HD23 ' B' ' 688' ' ' LEU . 0.3 OUTLIER -100.87 150.7 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.552 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.534 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ILE . . . . . 0.43 HG12 HG23 ' B' ' 630' ' ' ILE . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.43 HG23 HG12 ' B' ' 619' ' ' ILE . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 47' ' ' SER . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.568 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.486 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.537 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.615 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.439 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.605 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.679 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.541 ' O ' HD11 ' B' ' 600' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.531 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.679 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.4 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 659' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.788 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.714 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.789 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 670' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.789 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.439 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.656 ' O ' HG12 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.597 HD11 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.465 ' HB3' ' NZ ' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.752 HG11 HD22 ' B' ' 588' ' ' LEU . 8.6 m . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.201 0.524 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 -120.31 132.3 24.16 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.608 173.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.477 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 38' ' ' HIS . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -118.15 146.83 43.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.687 ' O ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -82.69 29.68 0.44 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -174.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 76.45 157.91 0.15 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.813 -170.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 87.5 Cg_exo -49.22 115.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.403 2.069 . . . . 0.0 112.316 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.632 ' HB3' HG11 ' B' ' 634' ' ' VAL . 14.7 m -66.06 105.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.335 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 17.9 pt20 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.659 0.266 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 150.71 31.48 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.743 2.296 . . . . 0.0 111.742 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -65.94 82.43 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.773 2.315 . . . . 0.0 112.108 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 p -77.11 138.14 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.583 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 671' ' ' ASP . 16.9 mt -99.47 161.68 23.75 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.816 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.411 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.442 HG22 HG12 ' A' ' 34' ' ' VAL . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.475 HG13 HD11 ' B' ' 594' ' ' LEU . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.628 ' HB2' HD12 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.752 HD22 HG11 ' A' ' 34' ' ' VAL . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.53 HG13 HD13 ' A' ' 40' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.498 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.639 ' O ' HD13 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.639 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.558 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.75 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt -72.69 -48.17 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 53.6 m -92.75 103.91 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.584 0.23 . . . . 0.0 110.454 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -60.17 -24.66 64.93 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 5.3 m-20 -65.25 -21.83 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.266 0.555 . . . . 0.0 110.375 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.45 ' HB3' HD11 ' B' ' 686' ' ' LEU . 1.6 mm? -110.11 158.55 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.483 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.75 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.689 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 617' ' ' GLU . . . . . 0.505 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.749 ' HB2' HG13 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.665 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.505 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 47' ' ' SER . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.454 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.687 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.598 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.459 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.737 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.426 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.578 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.737 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.1 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.498 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.758 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.598 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.565 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.581 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.482 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 670' ' ' PHE . . . . . 0.411 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.581 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.535 HD22 ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.758 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.689 ' O ' HG12 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.566 ' HB ' ' OE1' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.562 HG23 HG23 ' B' ' 611' ' ' ILE . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.671 ' CB ' HD12 ' A' ' 44' ' ' LEU . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.465 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 608' ' ' ASP . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG11 HD22 ' B' ' 588' ' ' LEU . 6.9 m . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 -119.59 137.95 26.09 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.697 169.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HG13 ' B' ' 591' ' ' VAL . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -145.9 143.63 29.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' B' ' 685' ' ' SER . 0.0 OUTLIER -80.33 161.51 25.01 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB ' ' B' ' 643' ' ' VAL . . . -46.82 131.52 8.6 Favored Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -41.12 103.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.964 3.109 . . . . 0.0 113.121 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.1 p -80.32 -78.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.705 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.803 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.62 154.67 54.81 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.777 2.318 . . . . 0.0 112.251 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.64 35.98 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.891 2.394 . . . . 0.0 111.821 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.1 p 49.07 -170.1 0.02 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.155 0.982 . . . . 0.0 112.9 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.24 152.83 40.54 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.046 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.627 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.522 ' HA ' ' OG ' ' B' ' 579' ' ' SER . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.514 HG22 HG12 ' A' ' 34' ' ' VAL . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.441 HG13 HD11 ' B' ' 594' ' ' LEU . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.423 ' HB3' ' CA ' ' B' ' 602' ' ' SER . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 34' ' ' VAL . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 40' ' ' LEU . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.451 HG21 ' HA2' ' B' ' 655' ' ' GLY . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.676 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.568 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.423 ' CA ' ' HB3' ' B' ' 584' ' ' ALA . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.688 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -69.03 -51.32 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 606' ' ' SER . . . . . 0.46 ' HB2' HD23 ' B' ' 609' ' ' LEU . 59.2 m -91.43 112.47 24.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.384 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -66.83 -22.22 66.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.85 -20.54 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 0.0 110.395 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.547 HD11 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? -110.34 167.95 9.82 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.911 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.542 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.688 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.615 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.649 ' N ' HG23 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.784 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.507 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.647 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 642' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.475 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.647 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.458 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.904 HG11 ' HB3' ' B' ' 681' ' ' ASP . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.61 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.742 ' OE1' HG12 ' B' ' 653' ' ' VAL . 27.7 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 661' ' ' CYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' B' ' 664' ' ' GLU . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.594 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.493 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.414 ' H ' HG12 ' B' ' 679' ' ' VAL . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.904 ' HB3' HG11 ' B' ' 653' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.649 HG23 ' N ' ' B' ' 614' ' ' SER . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.61 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.615 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.547 HD13 HD11 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.263 0.554 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.33 153.5 76.43 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.362 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' HD11 ' B' ' 688' ' ' LEU . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -121.32 139.73 53.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.618 ' O ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.46 40.3 0.29 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.563 -177.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 75.51 159.48 0.16 Allowed Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.482 0.713 . . . . 0.0 109.567 -169.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.11 99.21 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.388 2.059 . . . . 0.0 112.706 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 44' ' ' LEU . 12.4 m -55.98 156.83 4.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.348 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.476 178.406 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -78.7 161.58 27.57 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.573 2.182 . . . . 0.0 112.39 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.8 -50.24 7.41 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 123.127 2.551 . . . . 0.0 112.474 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 5.2 m 71.17 150.63 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.813 0.816 . . . . 0.0 111.288 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp -116.52 164.26 18.99 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.386 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.521 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 589' ' ' LYS . . . . . 0.602 ' HD2' HD23 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 592' ' ' GLU . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 593' ' ' ASP . . . . . 0.415 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.602 HD23 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 595' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.45 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.531 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt -64.39 -23.56 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 69.7 m 55.63 79.29 0.16 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.194 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.07 62.9 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 171.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.46 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 16.9 m-20 66.61 35.54 5.29 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.78 -172.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.569 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt -149.14 129.55 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.791 -171.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.536 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.65 ' N ' HG23 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.732 HG22 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.687 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.687 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' B' ' 651' ' ' PHE . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.732 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.562 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 651' ' ' PHE . . . . . 0.414 ' CE1' HG11 ' B' ' 645' ' ' VAL . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.953 HG11 ' HB2' ' B' ' 681' ' ' ASP . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.63 ' HB3' HG13 ' B' ' 682' ' ' VAL . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.724 ' OE1' HG12 ' B' ' 653' ' ' VAL . 28.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 659' ' ' SER . . . . . 0.507 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 661' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 672' ' ' LEU . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.507 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.56 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.953 ' HB2' HG11 ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.65 HG23 ' N ' ' B' ' 614' ' ' SER . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.591 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 44' ' ' LEU . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.494 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG13 ' O ' ' B' ' 580' ' ' ILE . 22.2 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.104 0.478 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.32 159.74 28.69 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.185 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.689 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HA ' HG12 ' A' ' 41' ' ' VAL . 31.7 t60 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.487 ' C ' HD23 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -135.52 119.1 16.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -53.39 -40.37 64.99 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -165.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' N ' HD22 ' A' ' 44' ' ' LEU . . . 164.43 154.15 0.06 OUTLIER Pre-proline 0 C--N 1.31 -1.111 0 O-C-N 124.265 0.978 . . . . 0.0 109.171 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.13 97.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.322 2.015 . . . . 0.0 110.267 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HA ' HG21 ' B' ' 641' ' ' VAL . 3.4 m -66.91 125.04 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 -170.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.551 -177.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.51 160.54 25.43 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.06 68.6 5.78 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.838 2.358 . . . . 0.0 111.739 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 19.5 p -62.21 139.24 58.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.429 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp 58.56 165.14 0.08 OUTLIER Pre-proline 0 N--CA 1.441 -0.913 0 C-N-CA 123.673 0.789 . . . . 0.0 112.388 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.544 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 574' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.559 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.564 ' O ' HG13 ' A' ' 34' ' ' VAL . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.488 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.491 ' HB2' HG11 ' A' ' 34' ' ' VAL . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.507 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 580' ' ' ILE . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 589' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.64 ' HB ' HD21 ' B' ' 672' ' ' LEU . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.511 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.507 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' B' ' 606' ' ' SER . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt -58.87 -52.75 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 606' ' ' SER . . . . . 0.657 ' HB2' ' O ' ' B' ' 603' ' ' ALA . 8.4 t 56.74 -167.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 163.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.7 t30 166.79 -38.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 112.348 -2.206 . . . . 0.0 106.076 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.617 ' H ' HD22 ' B' ' 609' ' ' LEU . 12.8 m-20 -145.59 4.69 1.03 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.827 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.689 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.77 152.95 28.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -168.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.56 ' N ' HG23 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.676 ' HB2' HG13 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.466 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.599 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.676 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.7 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' B' ' 614' ' ' SER . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 47' ' ' SER . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 642' ' ' SER . . . . . 0.451 ' HB3' HG21 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 44' ' ' LEU . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.533 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.599 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.682 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.449 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.514 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.643 ' OE1' HG12 ' B' ' 653' ' ' VAL . 2.7 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.682 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.701 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.86 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.576 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.969 HD22 ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.969 ' HD2' HD22 ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.86 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.476 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.905 ' HB3' HG11 ' B' ' 653' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.662 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.476 ' SG ' HD21 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.54 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.649 ' OG ' HD12 ' A' ' 44' ' ' LEU . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.499 HD22 HD12 ' B' ' 609' ' ' LEU . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG11 HD22 ' B' ' 588' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.062 0.458 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -103.83 154.69 37.84 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.149 -165.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.69 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB3' HD23 ' A' ' 40' ' ' LEU . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -139.94 112.63 7.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.564 HD12 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -64.83 157.73 26.97 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' O ' HD22 ' A' ' 44' ' ' LEU . . . -49.02 140.37 11.6 Favored Pre-proline 0 N--CA 1.467 0.39 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 128.37 6.73 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.743 2.962 . . . . 0.0 112.616 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.451 ' HA ' HG21 ' B' ' 641' ' ' VAL . 2.9 p -63.77 100.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.25 -179.081 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.699 0.285 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.52 144.42 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.171 1.914 . . . . 0.0 111.987 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.11 7.56 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.782 2.322 . . . . 0.0 112.125 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.0 p 48.66 -161.33 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.993 0.917 . . . . 0.0 112.071 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.457 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER -67.36 164.83 33.78 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.141 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' B' ' 571' ' ' LEU . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.524 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.404 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.63 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.501 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.49 HD22 HG11 ' A' ' 34' ' ' VAL . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 590' ' ' LYS . . . . . 0.524 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.445 ' HB3' ' HG2' ' B' ' 673' ' ' PRO . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.535 HG21 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.545 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.6 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.73 -18.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 606' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' B' ' 607' ' ' ASN . 85.8 p 67.87 157.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.098 -1.41 . . . . 0.0 114.134 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 607' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 606' ' ' SER . 2.4 t30 173.48 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.763 175.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.583 ' H ' HD22 ' B' ' 609' ' ' LEU . 26.6 m-20 -140.24 2.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.703 174.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.69 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -111.56 156.01 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -170.044 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.46 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.6 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.565 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.479 ' OG1' HG22 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 622' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 623' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.682 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.499 HG22 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 638' ' ' ARG . . . . . 0.595 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 47' ' ' SER . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.682 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.672 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.941 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.522 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.633 ' OE1' HG12 ' B' ' 653' ' ' VAL . 26.4 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 661' ' ' CYS . . . . . 0.491 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.6 mm-40 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' B' ' 667' ' ' SER . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 676' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.941 ' HB3' HG11 ' B' ' 653' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.479 HG22 ' OG1' ' B' ' 615' ' ' THR . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.564 ' OG ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 HD22 ' B' ' 588' ' ' LEU . 11.1 m . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.375 0.607 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 -108.28 141.08 22.44 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.518 171.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.642 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' B' ' 688' ' ' LEU . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 HD12 ' B' ' 581' ' ' ILE . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -80.82 109.45 15.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' B' ' 632' ' ' PHE . 6.4 tp -54.14 147.95 12.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.916 174.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.66 120.75 82.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.64 124.52 16.0 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.999 2.466 . . . . 0.0 112.628 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -85.52 -39.7 17.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.412 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.092 -178.64 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.69 153.44 33.92 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.534 2.156 . . . . 0.0 111.486 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.48 -3.78 13.69 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.702 2.268 . . . . 0.0 112.036 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 23.2 p -117.57 134.97 54.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.558 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt -72.49 148.12 90.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.477 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.627 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 574' ' ' TYR . . . . . 0.628 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.484 ' O ' HG11 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.627 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.487 HG22 HG12 ' A' ' 34' ' ' VAL . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 602' ' ' SER . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.439 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 34' ' ' VAL . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 589' ' ' LYS . . . . . 0.568 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.484 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.568 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.641 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.59 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.59 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt -65.74 -8.87 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 48.8 m 59.75 74.1 0.46 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.746 163.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 7.9 t-20 -114.12 50.04 0.96 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 607' ' ' ASN . 48.9 m-20 80.51 9.35 1.22 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.541 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.642 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.018 -0.427 . . . . 0.0 111.112 178.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 613' ' ' SER . . . . . 0.497 ' HB3' HG21 ' B' ' 682' ' ' VAL . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.675 ' N ' HG23 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.772 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 617' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.665 ' HB2' HG13 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 625' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.635 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.473 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.779 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.422 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.463 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.5 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.721 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 1.006 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.634 ' HB3' HG13 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.732 ' OE1' HG12 ' B' ' 653' ' ' VAL . 27.1 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.721 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.754 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 664' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.627 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 1.006 ' HB3' HG11 ' B' ' 653' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.675 HG23 ' N ' ' B' ' 614' ' ' SER . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.531 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.527 HD11 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.462 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG21 HD22 ' B' ' 588' ' ' LEU . 8.0 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.068 0.461 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 -93.15 142.35 25.22 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.422 -169.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB3' HD23 ' B' ' 583' ' ' LEU . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.557 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -147.17 129.97 16.14 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.637 ' O ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.15 98.59 2.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.258 1.028 . . . . 0.0 110.132 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . 63.23 -175.22 0.03 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.751 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 75.8 Cg_exo -53.62 -34.45 73.46 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.597 1.532 . . . . 0.0 112.178 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.7 p 53.54 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.17 0.988 . . . . 0.0 113.092 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.708 176.535 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.827 0.346 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.22 150.68 33.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.926 2.418 . . . . 0.0 111.789 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.16 -166.97 0.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.901 2.401 . . . . 0.0 112.43 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 8.5 m -76.4 -18.7 58.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.187 0.994 . . . . 0.0 110.077 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt -77.93 153.07 80.26 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.455 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 574' ' ' TYR . . . . . 0.402 ' HD1' ' CD2' ' A' ' 35' ' ' PHE . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.519 ' O ' HG11 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.623 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.524 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.508 HG13 HD11 ' B' ' 594' ' ' LEU . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.524 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 589' ' ' LYS . . . . . 0.54 ' HD3' HD23 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 40' ' ' LEU . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.515 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.627 ' HB3' HD13 ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 599' ' ' PHE . . . . . 0.4 ' HA ' ' OG ' ' B' ' 602' ' ' SER . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.46 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.495 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt -70.75 -24.13 24.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.9 m -92.2 -33.68 14.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.0 t30 74.81 -46.15 0.59 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.119 0.568 . . . . 0.0 111.304 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 9.6 m-20 -67.72 -29.51 68.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.202 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? -93.71 137.13 33.28 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.599 171.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 684' ' ' ILE . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.579 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ILE . . . . . 0.438 HG12 HG23 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.438 HG23 HG12 ' B' ' 619' ' ' ILE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 633' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' ARG . . . . . 0.434 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.6 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.495 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.642 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.557 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.949 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.503 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.515 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.596 ' OE1' HG12 ' B' ' 653' ' ' VAL . 3.1 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 659' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 7.4 mm100 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.445 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 676' ' ' LYS . . . . . 0.523 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 678' ' ' SER . . . . . 0.523 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.6 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.949 ' HB3' HG11 ' B' ' 653' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.634 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 611' ' ' ILE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG21 ' OE1' ' B' ' 582' ' ' GLN . 27.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 -124.71 137.13 28.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.904 169.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CB ' HD11 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -57.55 120.51 8.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.67 111.58 3.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.971 0.891 . . . . 0.0 110.501 -174.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' CD ' ' A' ' 46' ' ' PRO . . . 57.25 -166.62 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.129 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' CD ' ' HB1' ' A' ' 45' ' ' ALA . 8.2 Cg_exo -77.31 20.74 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 121.495 1.464 . . . . 0.0 111.74 166.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 45' ' ' ALA . 39.4 t 62.71 -88.26 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.353 0.661 . . . . 0.0 110.605 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.436 -1.141 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.865 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.647 0.26 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.43 153.35 35.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.795 2.33 . . . . 0.0 112.218 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.11 82.8 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.725 2.283 . . . . 0.0 111.884 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 16.7 p -66.97 129.42 39.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.681 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.64 163.3 52.42 Favored Pre-proline 0 N--CA 1.438 -1.062 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.368 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 574' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.534 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.516 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 34' ' ' VAL . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 34' ' ' VAL . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 590' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.516 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.473 HG21 ' CA ' ' B' ' 655' ' ' GLY . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.425 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 599' ' ' PHE . . . . . 0.411 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' B' ' 597' ' ' GLU . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.612 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt -70.96 -8.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 76.6 p 54.08 90.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.715 -1.129 . . . . 0.0 113.65 165.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -128.88 61.56 1.51 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.414 ' C ' ' HG ' ' B' ' 609' ' ' LEU . 22.9 m-20 66.44 35.36 5.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.817 -175.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt -146.61 134.68 21.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 -172.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.529 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.757 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.403 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.529 ' CD2' HD23 ' A' ' 44' ' ' LEU . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.544 HG22 HG23 ' B' ' 645' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.471 HG23 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.667 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 651' ' ' PHE . . . . . 0.693 ' HD2' ' HG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.989 HG12 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.672 ' HB3' HG13 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.473 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.989 ' NE2' HG12 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.667 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.45 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.471 ' HD3' HG23 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.409 HG21 ' HG3' ' B' ' 650' ' ' PRO . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' B' ' 673' ' ' PRO . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.459 ' HD2' HD12 ' B' ' 672' ' ' LEU . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.757 ' O ' HG12 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.693 ' HG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.476 HG23 HG23 ' B' ' 611' ' ' ILE . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.442 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.419 HG22 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.476 ' N ' HD22 ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' B' ' 582' ' ' GLN . 3.6 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.305 0.574 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -130.79 144.11 52.11 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.978 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.637 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CB ' HD21 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -88.14 98.98 11.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -55.13 122.53 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.161 172.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -57.99 134.56 83.8 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.82 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.61 135.81 48.81 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.2 2.6 . . . . 0.0 112.623 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' B' ' 634' ' ' VAL . 35.3 p -65.78 134.5 53.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.64 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.918 0.762 . . . . 0.0 110.879 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.15 146.73 28.99 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.741 2.294 . . . . 0.0 112.496 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.61 65.46 7.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.872 2.381 . . . . 0.0 111.414 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 18.6 p -68.56 129.99 41.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.268 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt -81.19 156.51 71.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.315 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.621 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.621 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' B' ' 671' ' ' ASP . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.539 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.553 HG13 HD11 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.604 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 590' ' ' LYS . . . . . 0.539 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.553 HD11 HG13 ' B' ' 581' ' ' ILE . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.619 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.654 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.604 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.722 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt -64.16 -16.68 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.4 m 71.03 105.39 0.06 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.236 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -154.73 51.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.448 ' C ' ' HG ' ' B' ' 609' ' ' LEU . 20.6 m-20 67.17 35.07 4.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.043 -175.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.637 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt -152.54 131.07 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.439 -172.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.532 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.764 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.778 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.487 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 645' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.675 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.426 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.648 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 1.008 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' B' ' 682' ' ' VAL . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.619 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.626 ' OE1' HG12 ' B' ' 653' ' ' VAL . 2.7 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.648 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 1.008 ' HB3' HG11 ' B' ' 653' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.565 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.57 HG23 HG23 ' B' ' 611' ' ' ILE . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.494 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.409 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 35' ' ' PHE . 13.7 p . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.948 0.404 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 34' ' ' VAL . 84.2 m-85 -135.87 146.86 58.69 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.8 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.49 116.11 12.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 156.19 27.71 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.107 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.45 124.71 5.93 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -34.39 106.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.384 3.39 . . . . 0.0 113.24 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB3' HG11 ' B' ' 634' ' ' VAL . 5.8 m -58.88 124.98 21.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.495 -175.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.855 -178.636 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.618 0.247 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.5 158.74 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.361 2.041 . . . . 0.0 111.954 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.87 -58.53 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.813 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 20.6 p -103.08 153.59 20.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.82 159.34 76.59 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 582' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 40' ' ' LEU . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 595' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.79 ' O ' HD13 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.79 HD13 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.706 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 604' ' ' GLU . . . . . 0.736 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt -58.8 -36.44 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 8.6 t 63.27 90.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.863 -1.062 . . . . 0.0 113.468 163.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 65.3 t30 -101.37 59.09 0.88 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.595 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 12.5 m-20 80.5 18.93 0.56 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.426 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.61 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.1 161.87 16.04 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.409 176.343 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.465 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.706 HG12 ' HB3' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.586 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.705 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.478 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 625' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.705 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 47' ' ' SER . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.678 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.68 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.729 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 654' ' ' PHE . . . . . 0.465 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.533 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.729 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.7 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.68 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.412 HG21 ' HG3' ' B' ' 650' ' ' PRO . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 668' ' ' GLN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.653 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.471 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.471 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 677' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 678' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.705 ' O ' HG12 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.705 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.533 HD11 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.586 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 38' ' ' HIS . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.762 HG11 HD22 ' B' ' 588' ' ' LEU . 4.4 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.188 0.518 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 -119.35 142.99 33.45 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.375 174.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' HD22 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' CB ' HD11 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -101.01 76.87 1.78 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -52.28 124.27 12.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.201 173.159 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.589 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -51.15 105.29 0.5 Allowed Pre-proline 0 C--N 1.332 -0.191 0 O-C-N 123.488 0.493 . . . . 0.0 109.817 175.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 55.84 5.14 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.982 2.454 . . . . 0.0 112.68 -170.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.549 ' HB3' ' HB ' ' B' ' 634' ' ' VAL . 68.1 p 56.47 -174.42 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.225 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.958 -178.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.717 0.294 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.43 159.2 40.06 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.665 2.243 . . . . 0.0 111.551 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.17 125.3 10.72 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.396 2.064 . . . . 0.0 111.342 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 m 70.48 159.06 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.319 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 571' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt -83.15 170.01 15.8 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 572' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 575' ' ' PHE . . . . . 0.44 ' O ' HG11 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 576' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 578' ' ' GLY . . . . . 0.532 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.487 HG22 HG12 ' A' ' 34' ' ' VAL . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 585' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 588' ' ' LEU . . . . . 0.762 HD22 HG11 ' A' ' 34' ' ' VAL . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 590' ' ' LYS . . . . . 0.532 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 591' ' ' VAL . . . . . 0.44 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.482 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' THR . . . . . 0.71 ' O ' HD13 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 597' ' ' GLU . . . . . 0.466 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 598' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' ILE . . . . . 0.71 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt -58.74 -25.29 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 49.1 m 74.31 156.77 0.18 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 114.703 -1.135 . . . . 0.0 113.149 167.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 57.0 t30 172.56 -61.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.421 -1.263 . . . . 0.0 107.799 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 14.8 m-20 -157.26 34.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.717 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 609' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -138.34 159.81 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.332 -165.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 610' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' SER . . . . . 0.521 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ILE . . . . . 0.403 HG12 HG23 ' B' ' 630' ' ' ILE . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 629' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 630' ' ' ILE . . . . . 0.479 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 631' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 632' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 634' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 47' ' ' SER . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 641' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 45' ' ' ALA . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 647' ' ' VAL . . . . . 0.692 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 650' ' ' PRO . . . . . 0.595 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 651' ' ' PHE . . . . . 0.44 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.876 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.588 ' OE1' HG13 ' B' ' 682' ' ' VAL . 2.6 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 660' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 661' ' ' CYS . . . . . 0.459 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 662' ' ' CYS . . . . . 0.692 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 663' ' ' PRO . . . . . 0.499 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 666' ' ' THR . . . . . 0.478 HG21 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 667' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 673' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 674' ' ' CYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 679' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 680' ' ' GLY . . . . . 0.41 ' H ' HG13 ' B' ' 616' ' ' VAL . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 681' ' ' ASP . . . . . 0.876 ' HB3' HG11 ' B' ' 653' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 682' ' ' VAL . . . . . 0.658 ' HA ' ' HA ' ' B' ' 615' ' ' THR . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 683' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' B' ' 653' ' ' VAL . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 684' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 685' ' ' SER . . . . . 0.59 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 686' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 687' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 688' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.579 HD11 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 111.206 0.076 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.416 ' HA ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD11 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.525 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.558 HG13 HD11 ' B' ' 594' ' ' LEU . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.644 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' LEU . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.558 HD11 HG13 ' B' ' 581' ' ' ILE . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 600' ' ' ILE . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' HD11 ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.538 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.8 mt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.541 ' OG1' HG22 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 629' ' ' VAL . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.554 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.732 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.494 HG22 HG23 ' B' ' 645' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.494 HG23 HG22 ' B' ' 643' ' ' VAL . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.559 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.974 HG12 HE21 ' B' ' 656' ' ' GLN . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.463 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.545 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.974 HE21 HG12 ' B' ' 653' ' ' VAL . 1.5 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.468 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' B' ' 668' ' ' GLN . 2.5 mm-40 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.468 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.541 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.964 ' HB3' HG11 ' B' ' 653' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.541 HG22 ' OG1' ' B' ' 615' ' ' THR . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.732 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 611' ' ' ILE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.479 ' HG ' ' HD2' ' B' ' 572' ' ' PRO . 10.5 tp . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.591 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.51 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 580' ' ' ILE . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' B' ' 587' ' ' GLU . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.503 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . 0.405 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.443 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.624 0.25 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.508 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . 0.433 ' HB3' HG11 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.42 ' HB3' HG22 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' B' ' 629' ' ' VAL . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.464 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.507 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 614' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.472 HG22 HG13 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.464 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.472 HG13 HG22 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.665 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.402 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.471 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 649' ' ' TYR . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.809 HG11 ' HB3' ' B' ' 681' ' ' ASP . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' B' ' 684' ' ' ILE . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.746 HE21 HG12 ' B' ' 653' ' ' VAL . 1.6 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.665 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.739 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.0 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 667' ' ' SER . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.546 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.618 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.809 ' HB3' HG11 ' B' ' 653' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.435 HG22 ' OG1' ' B' ' 615' ' ' THR . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.546 ' SG ' HD21 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 611' ' ' ILE . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.549 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.465 HD13 HD11 ' B' ' 609' ' ' LEU . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.467 0.175 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' HB2' HD21 ' B' ' 688' ' ' LEU . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.597 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.597 ' O ' HD21 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.576 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.53 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.488 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.529 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.613 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 23.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . 0.44 ' HB3' HG21 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.722 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.484 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.479 HG22 ' HG ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.462 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.932 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 638' ' ' ARG . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.479 ' HG ' HG22 ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.632 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 1.0 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.799 ' HB3' HG13 ' B' ' 682' ' ' VAL . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.678 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.887 HE21 HG12 ' B' ' 653' ' ' VAL . 2.1 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.632 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 664' ' ' GLU . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.48 ' HA ' ' CD2' ' B' ' 670' ' ' PHE . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.419 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.407 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . 0.443 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . 0.443 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 1.0 ' HB3' HG11 ' B' ' 653' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.932 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.576 HD11 ' OG1' ' B' ' 596' ' ' THR . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.542 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.469 HD13 HD21 ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.576 ' HB3' HD23 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.643 ' HA ' HG12 ' A' ' 41' ' ' VAL . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' B' ' 581' ' ' ILE . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . 0.534 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.493 HG13 HD11 ' B' ' 594' ' ' LEU . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.597 ' OG1' HD11 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.594 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.544 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 610' ' ' LYS . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.464 HD12 HD23 ' B' ' 688' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.552 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.534 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . 0.43 HG12 HG23 ' B' ' 630' ' ' ILE . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.43 HG23 HG12 ' B' ' 619' ' ' ILE . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.486 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.537 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.615 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.439 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.605 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.723 HG12 ' NE2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.541 ' O ' HD11 ' B' ' 600' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.772 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.2 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.788 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.714 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.789 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.789 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . 0.439 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.656 ' O ' HG12 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.772 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.597 HD11 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.465 ' NZ ' ' HB3' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.477 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 38' ' ' HIS . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 671' ' ' ASP . 16.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.411 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.475 HG13 HD11 ' B' ' 594' ' ' LEU . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.628 ' HB2' HD12 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.53 HG13 HD13 ' A' ' 40' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.498 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.639 ' O ' HD13 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.639 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.558 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.75 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.45 ' HB3' HD11 ' B' ' 686' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.483 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.75 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.689 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . 0.505 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.749 ' HB2' HG13 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.665 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.505 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.454 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.687 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.598 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.459 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.737 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.426 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.578 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.737 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.2 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.498 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.758 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.598 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.565 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.581 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.482 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . 0.411 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.581 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.535 HD22 ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.758 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.689 ' O ' HG12 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.709 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.562 HG23 HG23 ' B' ' 611' ' ' ILE . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.465 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HG13 ' B' ' 591' ' ' VAL . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.627 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.522 ' HA ' ' OG ' ' B' ' 579' ' ' SER . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.441 HG13 HD11 ' B' ' 594' ' ' LEU . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.423 ' HB3' ' CA ' ' B' ' 602' ' ' SER . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 40' ' ' LEU . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.451 HG21 ' HA2' ' B' ' 655' ' ' GLY . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.676 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.568 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.423 ' CA ' ' HB3' ' B' ' 584' ' ' ALA . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.688 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.547 HD11 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.542 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.688 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.615 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.649 ' N ' HG23 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.784 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.507 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.647 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.475 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.647 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.458 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.983 HG12 HE21 ' B' ' 656' ' ' GLN . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.61 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.983 HE21 HG12 ' B' ' 653' ' ' VAL . 2.1 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' B' ' 664' ' ' GLU . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.594 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.493 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.414 HG12 ' H ' ' B' ' 679' ' ' VAL . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.904 ' HB3' HG11 ' B' ' 653' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.698 HG13 HE22 ' B' ' 656' ' ' GLN . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.61 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.615 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.547 HD13 HD11 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' HD11 ' B' ' 688' ' ' LEU . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.521 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . 0.602 ' HD2' HD23 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 592' ' ' GLU . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . 0.415 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.602 HD23 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.45 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.531 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.569 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.536 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.65 ' N ' HG23 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.732 HG22 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.687 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.687 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' B' ' 651' ' ' PHE . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.732 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.562 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . 0.414 ' CE1' HG11 ' B' ' 645' ' ' VAL . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 1.03 HG12 HE21 ' B' ' 656' ' ' GLN . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.63 ' HB3' HG13 ' B' ' 682' ' ' VAL . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 1.03 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . 0.507 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 672' ' ' LEU . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . 0.507 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.56 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.953 ' HB2' HG11 ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.69 HG13 HE22 ' B' ' 656' ' ' GLN . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.591 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . . . . . . . . . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.494 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.237 0.44 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.689 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HA ' HG12 ' A' ' 41' ' ' VAL . 34.1 t-80 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.487 ' C ' HD23 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.544 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.559 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' B' ' 588' ' ' LEU . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.488 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.507 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 580' ' ' ILE . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.64 ' HB ' HD21 ' B' ' 672' ' ' LEU . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.511 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.507 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.689 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.56 ' N ' HG23 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . 0.463 ' HB3' HE21 ' B' ' 631' ' ' GLN . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.676 ' HB2' HG13 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.466 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.599 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.676 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.463 HE21 ' HB3' ' B' ' 618' ' ' ARG . 9.8 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.7 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' B' ' 614' ' ' SER . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . 0.451 ' HB3' HG21 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.533 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.599 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.682 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.449 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.995 HG12 HE21 ' B' ' 656' ' ' GLN . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.995 HE21 HG12 ' B' ' 653' ' ' VAL . 2.2 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.682 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.701 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.86 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.576 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.969 HD22 ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.969 ' HD2' HD22 ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.86 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.476 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.905 ' HB3' HG11 ' B' ' 653' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.667 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.476 ' SG ' HD21 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.54 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' B' ' 612' ' ' ASP . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.499 HD22 HD12 ' B' ' 609' ' ' LEU . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.265 0.079 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.69 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB3' HD23 ' A' ' 40' ' ' LEU . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 . . . . . 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.457 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' B' ' 571' ' ' LEU . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . 0.524 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' B' ' 590' ' ' LYS . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.63 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.501 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . 0.524 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.445 ' HB3' ' HG2' ' B' ' 673' ' ' PRO . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.535 HG21 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.545 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.6 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.69 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.46 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.6 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.565 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.479 ' OG1' HG22 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.682 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.499 HG22 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . 0.595 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.682 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.672 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.973 HG12 HE21 ' B' ' 656' ' ' GLN . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.522 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.973 HE21 HG12 ' B' ' 653' ' ' VAL . 1.7 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . 0.491 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.3 mm100 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' B' ' 667' ' ' SER . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.941 ' HB3' HG11 ' B' ' 653' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.479 HG22 ' OG1' ' B' ' 615' ' ' THR . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.642 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' B' ' 688' ' ' LEU . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 HD12 ' B' ' 581' ' ' ILE . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.627 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . 0.628 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.484 ' O ' HG11 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.627 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 602' ' ' SER . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.439 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . 0.568 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.484 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.568 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.641 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.59 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.59 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.642 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . 0.497 ' HB3' HG21 ' B' ' 682' ' ' VAL . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.675 ' N ' HG23 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.772 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.665 ' HB2' HG13 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.635 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.473 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.779 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.422 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.463 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.5 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.721 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 1.006 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.634 ' HB3' HG13 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.913 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.721 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.754 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.627 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 1.006 ' HB3' HG11 ' B' ' 653' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.675 HG23 ' N ' ' B' ' 614' ' ' SER . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.531 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.527 HD11 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.462 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB3' HD23 ' B' ' 583' ' ' LEU . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.557 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . 0.402 ' HD1' ' CD2' ' A' ' 35' ' ' PHE . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.519 ' O ' HG11 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.623 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.524 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.508 HG13 HD11 ' B' ' 594' ' ' LEU . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . 0.524 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . 0.54 ' HD3' HD23 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 40' ' ' LEU . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.515 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.627 ' HB3' HD13 ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . 0.4 ' HA ' ' OG ' ' B' ' 602' ' ' SER . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.46 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.495 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 684' ' ' ILE . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.579 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . 0.438 HG12 HG23 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.438 HG23 HG12 ' B' ' 619' ' ' ILE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . 0.434 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 48.3 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.495 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.642 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.557 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 1.099 HG12 HE21 ' B' ' 656' ' ' GLN . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.503 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.515 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 1.099 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 8.7 mm-40 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . 0.445 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . 0.523 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . 0.523 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.6 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.949 ' HB3' HG11 ' B' ' 653' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.677 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 611' ' ' ILE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CB ' HD11 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.534 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.516 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.516 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.473 HG21 ' CA ' ' B' ' 655' ' ' GLY . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.425 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . 0.411 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' B' ' 597' ' ' GLU . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.612 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.529 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.757 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.403 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 616' ' ' VAL . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.544 HG22 HG23 ' B' ' 645' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.471 HG23 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.667 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . 0.693 ' HD2' ' HG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.989 HG12 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.672 ' HB3' HG13 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.473 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.989 ' NE2' HG12 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.667 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.45 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.471 ' HD3' HG23 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.409 HG21 ' HG3' ' B' ' 650' ' ' PRO . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' B' ' 673' ' ' PRO . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.459 ' HD2' HD12 ' B' ' 672' ' ' LEU . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.757 ' O ' HG12 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.693 ' HG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.476 HG23 HG23 ' B' ' 611' ' ' ILE . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.442 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.419 HG22 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.476 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.31 0.1 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.637 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CB ' HD21 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.621 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.621 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' B' ' 671' ' ' ASP . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . 0.539 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.553 HG13 HD11 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.604 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . 0.539 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.553 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.619 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.654 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . 0.604 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.722 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.637 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.532 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.764 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' B' ' 614' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.778 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.487 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.675 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.426 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.648 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 1.04 HG12 HE21 ' B' ' 656' ' ' GLN . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' B' ' 682' ' ' VAL . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.619 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 1.04 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.648 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 1.008 ' HB3' HG11 ' B' ' 653' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.746 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.565 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.57 HG23 HG23 ' B' ' 611' ' ' ILE . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.494 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.45 0.167 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 40' ' ' LEU . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.79 ' O ' HD13 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.79 HD13 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.706 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . 0.736 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.61 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.461 0.172 . . . . 0.0 111.409 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.465 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.706 HG12 ' HB3' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.586 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.705 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.478 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.705 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.678 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.68 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.729 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . 0.465 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.518 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.729 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.8 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.68 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.412 HG21 ' HG3' ' B' ' 650' ' ' PRO . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.653 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.471 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.471 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.705 ' O ' HG12 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.622 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.705 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.533 HD11 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.586 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 38' ' ' HIS . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' HD22 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' CB ' HD11 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 571' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 572' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 575' ' ' PHE . . . . . 0.44 ' O ' HG11 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 576' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 577' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 578' ' ' GLY . . . . . 0.532 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 585' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' LYS . . . . . 0.532 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' VAL . . . . . 0.44 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . 0.482 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . 0.71 ' O ' HD13 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' GLU . . . . . 0.466 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' ILE . . . . . 0.71 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' SER . . . . . 0.521 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' ILE . . . . . 0.403 HG12 HG23 ' B' ' 630' ' ' ILE . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' ILE . . . . . 0.479 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' VAL . . . . . 0.692 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' PRO . . . . . 0.595 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' PHE . . . . . 0.44 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.957 HG12 HE21 ' B' ' 656' ' ' GLN . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.957 HE21 HG12 ' B' ' 653' ' ' VAL . 2.3 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' CYS . . . . . 0.459 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' CYS . . . . . 0.692 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' PRO . . . . . 0.499 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 666' ' ' THR . . . . . 0.478 HG21 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 667' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 671' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 672' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 673' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 674' ' ' CYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 679' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 680' ' ' GLY . . . . . 0.41 ' H ' HG13 ' B' ' 616' ' ' VAL . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 681' ' ' ASP . . . . . 0.876 ' HB3' HG11 ' B' ' 653' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 682' ' ' VAL . . . . . 0.738 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 683' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' B' ' 653' ' ' VAL . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 684' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 685' ' ' SER . . . . . 0.59 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 686' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 687' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 688' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 689' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.739 HG11 HD22 ' B' ' 588' ' ' LEU . 13.8 m . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.372 0.606 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 8.0 m-85 -121.4 138.34 28.08 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 173.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.27 126.68 21.23 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 110.073 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' HA ' ' CG2' ' B' ' 581' ' ' ILE . 22.8 p-90 -49.95 -27.86 5.96 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -70.61 69.35 0.42 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.788 0.804 . . . . 0.0 110.693 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -124.03 -16.73 6.45 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -136.12 -1.36 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.863 -172.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.81 111.04 52.85 Favored Pre-proline 0 N--CA 1.445 -0.683 0 CA-C-O 121.075 0.464 . . . . 0.0 110.156 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.54 169.85 6.8 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.67 2.247 . . . . 0.0 111.806 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -115.86 135.59 53.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -79.99 40.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.443 0.64 . . . . 0.0 110.463 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 71.73 159.03 0.16 Allowed Pre-proline 0 N--CA 1.464 0.24 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.791 -170.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -51.03 102.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.601 2.201 . . . . 0.0 111.819 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 p -70.81 161.97 30.0 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.05 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.758 -178.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.599 0.238 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -86.93 167.42 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.769 2.313 . . . . 0.0 112.035 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -51.84 -56.11 3.27 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.619 2.213 . . . . 0.0 111.27 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 21.1 p -126.77 -177.31 3.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.118 171.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.579 HD11 ' O ' ' B' ' 577' ' ' LYS . 0.4 OUTLIER -63.69 171.33 2.39 Favored Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 122.065 0.146 . . . . 0.0 111.206 176.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' B' ' 576' ' ' MET . 53.4 Cg_exo -50.14 143.77 24.47 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.311 2.007 . . . . 0.0 112.496 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 86.8 Cg_endo -78.92 -9.97 15.47 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.134 2.556 . . . . 0.0 113.923 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -91.93 104.18 16.63 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.242 -0.286 . . . . 0.0 111.044 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.416 ' HA ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER 67.33 -18.09 0.14 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 170.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 18.1 mmt -62.38 157.23 20.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.579 ' O ' HD11 ' B' ' 571' ' ' LEU . 84.2 tttt -55.62 125.03 19.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 106.96 -13.89 41.05 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.719 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.525 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 35.8 t -59.36 138.94 57.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 110.206 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.49 102.03 13.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.558 HG13 HD11 ' B' ' 594' ' ' LEU . 21.1 mm -89.5 126.72 42.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.749 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 34.9 tt0 -101.02 121.47 41.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 110.974 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.644 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 68.5 mt -81.02 170.95 15.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.068 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.828 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.6 p-10 -83.83 -3.5 57.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.431 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.68 -1.21 52.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.993 -0.622 . . . . 0.0 113.567 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 27.4 mt-10 -68.78 146.28 53.05 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.573 0.702 . . . . 0.0 112.509 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.739 HD22 HG11 ' A' ' 34' ' ' VAL . 51.6 mt -121.79 96.92 5.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.663 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -129.39 148.01 51.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.72 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -62.35 141.71 58.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.83 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' LEU . 9.4 t -46.52 -47.65 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.894 0.854 . . . . 0.0 110.992 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.59 -12.52 61.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.55 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -110.51 -12.27 14.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.73 0.3 . . . . 0.0 111.493 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.558 HD11 HG13 ' B' ' 581' ' ' ILE . 25.2 mt -57.64 118.73 5.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.217 0.532 . . . . 0.0 110.549 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -87.15 158.2 19.2 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 10.0 t -59.28 -36.19 75.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.114 0.483 . . . . 0.0 110.154 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 600' ' ' ILE . 46.9 mt-10 -60.26 -27.89 67.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.865 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.493 ' HB3' HD11 ' B' ' 583' ' ' LEU . 90.7 m-20 -65.23 -46.99 78.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.64 -38.55 67.67 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.507 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 74.9 mt -51.12 -58.41 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.446 0.466 . . . . 0.0 110.658 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.538 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -55.42 -50.2 70.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 46.2 m -57.04 -38.87 73.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.89 -34.62 59.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 49.9 mt-10 -75.54 -38.72 59.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.45 -176.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.7 mt -64.8 -24.45 35.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.27 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.2 m -97.13 159.85 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -115.36 -14.67 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 111.087 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -93.18 -1.96 55.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.473 0.654 . . . . 0.0 109.255 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 17.8 mt -129.16 149.84 50.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.114 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 686' ' ' LEU . 60.8 pttt -159.26 148.96 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.933 0.397 . . . . 0.0 112.063 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -92.45 154.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.861 176.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 7.1 t70 -129.19 153.48 47.69 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.6 p -110.8 101.92 10.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.37 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 23.1 m -122.12 105.13 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.236 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.541 ' OG1' HG22 ' B' ' 682' ' ' VAL . 43.7 m -80.3 110.06 15.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -58.61 116.66 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.232 0.539 . . . . 0.0 110.36 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -97.37 -19.56 18.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.739 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -157.49 155.21 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.412 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 84.7 mt -139.35 119.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 629' ' ' VAL . 30.7 mt-10 -126.72 134.75 50.59 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.31 140.09 44.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 4.3 t -104.9 10.84 34.18 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 -172.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 72.18 -40.48 0.48 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.402 0.681 . . . . 0.0 111.51 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 23.1 m -57.01 147.2 56.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.068 0.547 . . . . 0.0 110.925 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.26 111.34 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.67 2.913 . . . . 0.0 113.73 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 59.91 30.04 68.97 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.446 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' B' ' 646' ' ' LEU . 41.6 t -111.66 125.87 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 117.37 0.585 . . . . 0.0 111.589 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.43 131.41 29.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.498 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -90.27 117.19 33.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.551 0.691 . . . . 0.0 110.069 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.554 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 11.4 mm -90.78 115.77 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.831 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.76 111.58 20.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.732 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 99.1 m-85 -104.51 139.96 38.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.89 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -97.71 98.84 10.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 167.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 119.5 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.154 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.94 176.27 49.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.785 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -73.98 -17.53 60.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.54 0.37 38.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 40.8 61.62 1.63 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.835 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.08 117.97 24.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.358 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 95.8 mt-30 -83.29 130.13 35.05 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.489 0.661 . . . . 0.0 112.327 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.7 122.96 66.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.667 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 46.1 m -99.6 104.38 16.15 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.494 HG22 HG23 ' B' ' 645' ' ' VAL . 2.9 p -118.36 122.57 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -78.39 113.14 16.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.284 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.494 HG23 HG22 ' B' ' 643' ' ' VAL . 31.4 t -122.61 151.88 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' B' ' 627' ' ' VAL . 3.0 mt -72.34 140.1 48.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.782 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.17 -10.11 12.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.448 -174.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.02 -2.08 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.172 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 3.8 m-85 -76.83 116.8 60.16 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.388 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.559 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.6 Cg_endo -81.82 110.25 2.09 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.531 2.154 . . . . 0.0 111.637 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -90.83 119.99 31.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.175 0.512 . . . . 0.0 111.275 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.44 127.09 31.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 170.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.974 HG12 HE21 ' B' ' 656' ' ' GLN . 1.6 t -112.27 120.1 61.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.058 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.463 ' N ' HG13 ' B' ' 684' ' ' ILE . 63.8 t80 -35.47 -65.68 0.23 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.599 1.559 . . . . 0.0 115.149 -166.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.545 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -122.19 30.29 5.26 Favored Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.974 HE21 HG12 ' B' ' 653' ' ' VAL . 1.5 mp0 -122.9 -28.08 4.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.953 -0.623 . . . . 0.0 111.598 -169.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 133.03 -171.89 21.62 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 119.744 -1.217 . . . . 0.0 114.778 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.66 100.56 12.47 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.1 m -128.61 169.69 14.13 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -166.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 35.8 t -148.29 154.0 39.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.24 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 60.9 m -66.77 -14.74 62.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.205 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 37.5 t -157.83 83.83 2.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.468 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 51.6 Cg_exo -56.54 -31.33 86.08 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 111.985 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.87 -53.52 57.26 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.061 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 45.4 ttt180 -70.42 -42.16 71.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.332 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -40.95 98.49 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.472 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 13.5 t -75.62 -33.15 60.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.693 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' B' ' 668' ' ' GLN . 2.5 mm-40 -64.54 -51.59 62.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 17.7 mt -88.59 -35.94 16.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.395 -171.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -108.37 1.28 21.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.1 m-20 64.48 8.29 4.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.283 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.9 tp -101.0 119.0 59.31 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.194 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' B' ' 672' ' ' LEU . 51.0 Cg_endo -71.79 145.69 46.55 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.26 1.973 . . . . 0.0 111.765 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.468 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 62.2 m -146.26 152.55 39.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.676 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.4 m -87.51 161.01 18.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -75.39 119.77 19.93 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.36 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.541 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.5 tm? -82.23 107.84 15.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 30.8 m -127.64 170.94 12.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -56.85 127.94 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.588 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.04 -19.01 23.39 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.322 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.964 ' HB3' HG11 ' B' ' 653' ' ' VAL . 36.6 m-20 -85.25 113.35 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.239 0.542 . . . . 0.0 110.975 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.541 HG22 ' OG1' ' B' ' 615' ' ' THR . 99.5 t -71.79 105.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.732 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 84.5 m -81.78 141.6 33.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.478 0.656 . . . . 0.0 111.639 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.553 HG23 HG23 ' B' ' 611' ' ' ILE . 58.7 mt -80.29 111.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.805 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 11.6 t -94.63 118.38 31.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 166.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' B' ' 610' ' ' LYS . 0.3 OUTLIER -111.87 130.2 55.91 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.412 -176.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 67.1 m -98.62 119.15 36.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.95 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' B' ' 609' ' ' LEU . 1.6 mm? -98.89 97.49 8.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 27.0 mmmt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.091 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.643 HG11 HD22 ' B' ' 588' ' ' LEU . 14.1 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.277 0.561 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 21.7 m-85 -124.58 137.0 28.56 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.942 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.27 131.77 18.44 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.849 2.366 . . . . 0.0 111.154 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 12.8 p-90 -53.33 -24.67 12.5 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -167.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 41' ' ' VAL . 4.6 p80 -73.69 49.78 0.32 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.445 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -105.49 -23.52 12.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -124.02 -13.71 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.4 -174.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 38' ' ' HIS . 9.2 p -89.63 126.37 58.19 Favored Pre-proline 0 N--CA 1.442 -0.83 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 91.6 Cg_endo -81.26 178.71 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.616 2.211 . . . . 0.0 111.522 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -117.46 98.08 6.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.223 0.535 . . . . 0.0 110.649 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -60.75 120.56 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.944 173.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -53.69 131.73 55.93 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.412 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.06 127.36 21.51 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.971 2.447 . . . . 0.0 111.713 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.493 ' HB3' ' CB ' ' B' ' 634' ' ' VAL . 64.3 p -56.56 122.58 12.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.048 -173.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.929 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.577 0.227 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.17 145.7 39.58 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 571' ' ' LEU . 97.0 Cg_endo -83.4 16.79 1.8 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.105 2.537 . . . . 0.0 113.637 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.0 m 71.51 -5.13 1.68 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.147 0.975 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.479 ' HG ' ' HD2' ' B' ' 572' ' ' PRO . 10.5 tp -78.33 146.18 69.9 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.135 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.591 ' O ' ' HB2' ' B' ' 576' ' ' MET . 51.2 Cg_exo -53.96 146.69 45.95 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.137 2.558 . . . . 0.0 113.378 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 Cg_endo -81.42 -2.86 11.78 Favored 'Trans proline' 0 C--O 1.223 -0.233 0 C-N-CA 123.767 2.978 . . . . 0.0 114.332 -172.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -62.4 -86.27 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.23 1.98 9.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.367 0.603 . . . . 0.0 109.788 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 15.6 mmt -69.41 165.26 21.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.485 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -54.41 134.33 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 111.926 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.7 77.05 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.875 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.51 ' HB3' ' CG2' ' B' ' 591' ' ' VAL . 28.8 t -67.03 142.65 57.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.67 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 580' ' ' ILE . 27.4 mm -95.83 106.02 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.139 173.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 594' ' ' LEU . 27.4 mm -90.41 126.25 43.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.795 -176.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 39.2 tt0 -100.66 119.95 39.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' B' ' 587' ' ' GLU . 48.4 mt -81.82 171.44 14.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.827 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.1 -35.69 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 33.3 p-10 -76.51 -12.07 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 108.43 0.45 32.92 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.322 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 32.5 mt-10 -63.95 146.79 53.43 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.449 0.642 . . . . 0.0 112.504 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.643 HD22 HG11 ' A' ' 34' ' ' VAL . 56.1 mt -125.08 99.11 5.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.749 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -129.2 148.47 51.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -173.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -66.13 144.26 56.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' B' ' 579' ' ' SER . 4.7 t -48.28 -48.63 13.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -170.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 10.3 pt-20 -74.36 -11.35 60.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.996 -172.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.08 -14.11 19.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 111.354 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 40' ' ' LEU . 22.3 mt -59.08 125.32 23.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.99 166.94 10.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.503 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -58.34 -40.16 81.39 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.1 -29.66 63.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.266 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' B' ' 583' ' ' LEU . 84.9 m-20 -62.24 -51.71 66.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.295 0.569 . . . . 0.0 110.26 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . 0.405 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.1 m-85 -73.25 -36.01 66.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.599 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.443 ' HA ' HG13 ' B' ' 611' ' ' ILE . 76.5 mt -55.35 -57.52 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.57 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -60.02 -49.65 76.82 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.352 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 11.2 p -54.14 -49.13 69.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 0.0 111.543 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.63 -37.7 84.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.635 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.58 -40.0 73.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -68.74 -15.24 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 0.0 110.443 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.7 m -109.53 168.58 9.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.702 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -111.15 -27.33 8.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.826 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.93 -21.23 31.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 1.1 mm? -101.87 151.53 21.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.853 174.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.508 ' HB2' ' OG1' ' B' ' 687' ' ' THR . 50.9 mtmt -148.62 142.76 26.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.018 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 684' ' ' ILE . 3.5 mm -95.75 150.35 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.635 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 4.7 t70 -138.87 162.84 33.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.777 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . 0.433 ' HB3' HG11 ' B' ' 682' ' ' VAL . 32.0 m -131.15 117.7 19.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.42 ' HB3' HG22 ' B' ' 634' ' ' VAL . 14.7 m -132.18 124.32 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 682' ' ' VAL . 13.6 m -85.69 115.25 23.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.354 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.47 120.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.539 . . . . 0.0 111.031 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.8 mm-40 -96.07 -21.38 18.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.844 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -162.95 148.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.32 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.54 123.21 57.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' B' ' 629' ' ' VAL . 21.3 mt-10 -122.39 137.69 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.31 144.71 26.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 16.1 t -96.97 7.2 47.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.655 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 31.7 m80 57.44 24.44 10.21 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.51 0.671 . . . . 0.0 110.745 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 25.3 m -117.58 149.16 44.42 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.13 108.57 0.17 Allowed 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 122.896 2.397 . . . . 0.0 113.35 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.75 33.02 66.59 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.154 -1.384 . . . . 0.0 113.59 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.4 t -112.71 131.36 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 118.024 0.912 . . . . 0.0 112.062 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -146.35 138.66 25.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.464 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.3 OUTLIER -99.35 123.47 52.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.455 0.645 . . . . 0.0 110.466 178.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.3 116.0 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.455 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 27.5 tt0 -90.07 118.03 29.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 94.5 m-85 -108.85 156.22 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.294 0.569 . . . . 0.0 112.331 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.507 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -116.37 99.08 6.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.485 168.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.493 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 41.5 t -85.58 137.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.188 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 75.83 -170.32 54.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.047 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.7 -11.75 50.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.613 0.244 . . . . 0.0 111.325 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.76 -2.38 53.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 58.79 54.8 4.98 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.25 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.63 118.41 10.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 55.6 mt-30 -82.65 134.42 35.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 112.133 -170.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.1 t -134.82 142.52 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.479 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 47.5 m -128.22 104.57 7.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.843 0.354 . . . . 0.0 110.329 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.472 HG22 HG13 ' B' ' 645' ' ' VAL . 2.6 p -114.29 122.83 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.919 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.464 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 20.8 mt-10 -90.56 110.33 21.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.354 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.472 HG13 HG22 ' B' ' 643' ' ' VAL . 23.2 m -127.05 167.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.502 0.191 . . . . 0.0 110.521 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.2 mt -75.33 143.57 42.83 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.665 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 25.0 m -68.72 -10.69 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.526 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.402 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 11.3 pt-20 -83.17 -8.9 59.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.471 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 7.5 m-85 -76.31 123.17 87.83 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.481 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 649' ' ' TYR . 18.5 Cg_exo -67.25 144.55 68.92 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.814 2.342 . . . . 0.0 111.671 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.24 115.68 17.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.264 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.87 116.71 15.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.809 HG11 ' HB3' ' B' ' 681' ' ' ASP . 2.4 t -106.01 117.9 52.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' B' ' 684' ' ' ILE . 36.5 t80 -44.97 -100.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.421 1.088 . . . . 0.0 113.492 -167.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 N--CA 1.453 -0.224 0 O-C-N 121.158 -0.964 . . . . 0.0 111.478 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.746 HE21 HG12 ' B' ' 653' ' ' VAL . 1.6 mp0 -130.09 -57.25 1.1 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.797 -0.202 . . . . 0.0 110.947 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 156.56 -176.85 33.79 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 119.904 -1.141 . . . . 0.0 114.124 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 98.29 11.48 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 36.8 m -122.08 168.94 11.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.195 0.521 . . . . 0.0 112.266 -168.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 37.7 m -142.79 153.39 43.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.609 170.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 69.2 m -52.75 -35.01 55.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.152 0.501 . . . . 0.0 110.93 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.665 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 54.0 m -146.95 86.95 6.38 Favored Pre-proline 0 N--CA 1.444 -0.763 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.983 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.739 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 74.6 Cg_exo -51.4 -34.38 50.38 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.48 2.787 . . . . 0.0 112.66 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 38.4 mt-10 -55.36 -47.62 75.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 21.0 ttt180 -77.78 -44.79 26.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 13.2 m -60.12 -41.06 91.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 73.9 m -73.35 -37.88 65.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.429 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 0.0 OUTLIER -56.9 -51.3 69.65 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 11.5 mt -91.37 -40.6 11.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.113 0.483 . . . . 0.0 111.218 -170.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.76 1.46 29.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.394 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 667' ' ' SER . 13.8 m-20 55.31 14.64 1.13 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.828 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.47 115.97 65.91 Favored Pre-proline 0 N--CA 1.446 -0.648 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 71.9 Cg_exo -57.82 135.34 68.49 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.113 2.542 . . . . 0.0 112.064 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -144.36 135.82 25.65 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.985 -177.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 18.7 m -75.7 160.87 29.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -76.77 109.46 10.57 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.318 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.546 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.3 tm? -75.08 110.9 9.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 13.1 p -135.7 170.92 15.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.12 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.618 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 129.04 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.684 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 109.21 -23.41 23.09 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.609 -173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.809 ' HB3' HG11 ' B' ' 653' ' ' VAL . 23.7 m-20 -82.74 114.45 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 111.39 -176.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.435 HG22 ' OG1' ' B' ' 615' ' ' THR . 89.2 t -73.13 105.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.31 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.546 ' SG ' HD21 ' B' ' 677' ' ' LEU . 73.0 m -82.82 144.95 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.3 0.571 . . . . 0.0 111.588 -174.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.574 HG23 HG23 ' B' ' 611' ' ' ILE . 93.9 mt -83.55 122.09 37.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.858 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.549 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.9 t -94.96 118.15 31.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 169.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -102.85 122.14 43.92 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' B' ' 610' ' ' LYS . 82.3 p -97.03 118.51 33.6 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.888 0.375 . . . . 0.0 110.35 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.465 HD13 HD11 ' B' ' 609' ' ' LEU . 2.5 mm? -97.54 98.27 9.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.696 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.797 -179.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 588' ' ' LEU . 2.4 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.507 0.67 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -109.65 146.23 33.61 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.291 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.41 139.59 90.58 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.741 2.294 . . . . 0.0 110.451 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 13.1 p-90 -57.42 -26.09 60.6 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -168.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' HB2' HD21 ' B' ' 688' ' ' LEU . 32.0 t-80 -72.8 71.14 1.01 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.594 0.712 . . . . 0.0 109.536 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -127.63 -22.42 3.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.708 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.98 -41.95 2.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.57 120.73 73.04 Favored Pre-proline 0 N--CA 1.446 -0.654 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -94.19 -170.34 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.755 2.303 . . . . 0.0 111.715 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -143.77 124.01 13.78 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.315 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -70.0 161.67 29.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HD22 ' A' ' 44' ' ' LEU . . . -45.58 140.0 4.52 Favored Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.243 0.339 . . . . 0.0 111.849 -174.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -23.25 97.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 125.491 4.127 . . . . 0.0 114.422 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -72.72 -68.75 0.45 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.668 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.506 -177.315 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.592 0.234 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.21 156.34 25.92 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.455 2.103 . . . . 0.0 111.692 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.81 -59.13 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.79 2.327 . . . . 0.0 112.113 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -129.11 128.05 42.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.184 0.516 . . . . 0.0 111.244 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.597 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.1 pt? -98.88 166.29 13.39 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.574 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 576' ' ' MET . 52.0 Cg_exo -50.11 137.29 37.44 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.405 2.07 . . . . 0.0 113.463 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' B' ' 579' ' ' SER . 70.6 Cg_endo -80.32 -0.91 10.99 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 123.965 3.11 . . . . 0.0 113.29 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -61.91 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.529 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.402 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -123.96 0.85 8.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.273 0.559 . . . . 0.0 109.905 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.5 mmt -67.91 168.78 11.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.498 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.597 ' O ' HD21 ' B' ' 571' ' ' LEU . 52.3 tttp -54.85 140.15 37.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.366 0.603 . . . . 0.0 112.028 -177.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 84.95 -13.14 55.56 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.608 -0.724 . . . . 0.0 113.336 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 17.7 m -62.02 141.86 57.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.871 0.367 . . . . 0.0 110.77 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.08 116.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.221 0.534 . . . . 0.0 109.719 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.9 mm -105.05 127.0 59.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.954 -175.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.433 ' HB2' HG21 ' A' ' 34' ' ' VAL . 27.5 tt0 -99.66 118.89 37.17 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.235 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 87.1 mt -80.21 169.95 17.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.816 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -59.16 -38.4 79.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 111.66 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -67.23 -20.58 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.751 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.32 13.87 19.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.118 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.41 152.2 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.339 0.57 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 34' ' ' VAL . 66.3 mt -114.71 122.73 47.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -131.22 165.71 22.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -82.32 144.53 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 576' ' ' MET . 4.4 t -49.32 -48.29 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -170.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -10.46 59.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.04 -6.54 28.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.277 0.561 . . . . 0.0 110.375 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.9 mt -65.4 121.33 14.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.243 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.36 168.48 9.36 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.198 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.576 ' OG1' HD11 ' B' ' 684' ' ' ILE . 8.9 t -59.71 -42.13 92.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.92 -28.84 69.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 111.213 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.53 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 22.6 m-20 -62.37 -48.58 79.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.827 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.02 -38.28 66.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.488 ' HA ' HG13 ' B' ' 611' ' ' ILE . 69.1 mt -51.64 -57.35 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 123.372 0.42 . . . . 0.0 110.735 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 605' ' ' ILE . 56.5 mt-30 -59.84 -44.74 93.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.529 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 74.2 m -53.88 -50.34 66.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.488 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.613 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.5 -32.67 74.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.804 0.335 . . . . 0.0 111.137 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.27 -40.76 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.783 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 601' ' ' GLN . 54.1 mt -69.37 -15.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.524 0.678 . . . . 0.0 110.096 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' B' ' 609' ' ' LEU . 42.3 m -97.36 157.02 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.87 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -114.36 -12.81 12.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -106.26 7.98 31.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.059 0.456 . . . . 0.0 110.187 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 23.7 mt -135.78 153.26 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.517 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -160.24 155.12 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 111.404 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.4 mm -94.04 150.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.903 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.6 t0 -128.09 168.55 15.2 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . 0.44 ' HB3' HG21 ' B' ' 682' ' ' VAL . 19.5 m -131.76 119.73 21.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.31 -177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' B' ' 632' ' ' PHE . 10.4 p -138.94 104.51 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 0.0 111.285 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 67.1 m -74.82 107.63 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.513 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.722 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.6 p -58.84 120.16 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.166 0.508 . . . . 0.0 110.124 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -101.68 -19.14 15.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.42 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -157.45 149.14 22.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 85.3 mt -130.99 126.78 60.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.882 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.484 ' HB2' HG13 ' B' ' 629' ' ' VAL . 23.6 mt-10 -122.56 136.21 54.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.372 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -79.41 134.5 36.56 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 32.3 t -95.55 165.9 12.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.585 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -92.02 -2.0 56.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.193 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 37.7 m -82.93 140.74 43.35 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.66 111.92 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.274 2.649 . . . . 0.0 113.604 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . . . . . . . . . . . 62.27 39.12 97.3 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.654 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.479 HG22 ' HG ' ' B' ' 646' ' ' LEU . 94.7 t -119.64 138.63 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 0.0 111.213 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.41 31.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.524 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -96.48 120.24 45.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.477 0.656 . . . . 0.0 110.374 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.462 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 14.8 mm -92.86 124.45 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.393 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.93 114.28 26.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.932 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 86.4 m-85 -107.13 154.89 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.675 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -113.0 102.35 10.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.711 168.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 60.8 t -83.3 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.851 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 72.26 -171.52 48.75 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.099 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -76.65 -19.87 57.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.26 -3.27 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.526 0.679 . . . . 0.0 109.956 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 638' ' ' ARG . 0.7 OUTLIER 43.15 46.76 5.16 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.178 177.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.78 119.69 11.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.15 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 72.7 mt-30 -82.47 119.64 24.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.607 0.718 . . . . 0.0 111.741 -174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.12 123.22 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.96 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 28.9 m -108.28 111.52 23.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.849 0.357 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.79 124.07 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 121.107 0.48 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 26.9 mt-10 -82.1 110.16 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.277 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.8 m -127.18 150.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.607 0.241 . . . . 0.0 110.384 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.479 ' HG ' HG22 ' B' ' 627' ' ' VAL . 7.9 mp -63.84 141.78 58.64 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.435 0.635 . . . . 0.0 110.897 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.5 m -71.42 -5.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.767 -174.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.35 2.59 46.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.476 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.0 111.71 42.44 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.632 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 2.3 Cg_endo -80.73 119.06 3.57 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.657 2.238 . . . . 0.0 111.181 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -98.55 123.19 42.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.162 0.506 . . . . 0.0 111.175 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -71.71 133.24 45.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 171.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 1.0 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.6 t -118.87 130.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.4 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.799 ' HB3' HG13 ' B' ' 682' ' ' VAL . 91.0 t80 -37.4 -57.39 0.92 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.996 1.719 . . . . 0.0 115.267 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.678 ' H ' ' NE2' ' B' ' 656' ' ' GLN . . . -132.13 17.64 4.82 Favored Glycine 0 CA--C 1.504 -0.626 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.887 HE21 HG12 ' B' ' 653' ' ' VAL . 2.1 mp0 -104.87 -27.17 11.89 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.8 -0.7 . . . . 0.0 110.551 -172.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 121.82 -160.82 16.13 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.477 -0.868 . . . . 0.0 114.192 172.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.632 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -93.4 98.97 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 34.5 m -123.87 169.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 112.023 -168.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 41.4 t -143.85 153.01 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.167 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.29 -16.27 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.177 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 43.4 t -157.11 82.28 3.19 Favored Pre-proline 0 N--CA 1.448 -0.571 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.393 175.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.08 -28.65 61.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.688 2.259 . . . . 0.0 111.485 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 664' ' ' GLU . 2.1 mp0 -51.72 -69.29 0.12 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.645 174.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 41.7 mtt85 -57.14 -43.48 82.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.257 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.48 ' HA ' ' CD2' ' B' ' 670' ' ' PHE . 12.5 m -62.92 -39.93 96.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.641 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 25.0 t -79.66 -30.16 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.917 0.389 . . . . 0.0 111.043 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 4.3 mm-40 -71.1 -52.28 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 8.7 mt -89.06 -39.3 13.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.451 -170.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 8.7 m-85 -104.68 -1.4 26.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.913 -174.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' B' ' 667' ' ' SER . 38.8 m-20 61.87 18.49 9.83 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.446 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.419 ' N ' ' HA ' ' B' ' 667' ' ' SER . 40.1 tp -110.06 114.52 55.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.407 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.0 Cg_endo -76.25 140.07 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.236 1.957 . . . . 0.0 112.257 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' B' ' 666' ' ' THR . 32.4 m -137.94 152.81 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.226 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 17.0 m -74.0 156.09 37.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . 0.443 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.2 tptp -76.9 113.2 14.33 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.525 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.1 tm? -76.14 107.15 8.16 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . 0.443 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 54.9 m -128.97 170.97 12.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.022 0.439 . . . . 0.0 111.275 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.5 p -53.31 135.88 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.773 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.97 -11.52 52.48 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.582 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 1.0 ' HB3' HG11 ' B' ' 653' ' ' VAL . 75.4 m-20 -94.12 116.62 29.06 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.668 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.2 p -71.89 107.05 2.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.302 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.932 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 78.3 m -76.98 141.62 40.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.368 0.604 . . . . 0.0 111.219 -174.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.576 HD11 ' OG1' ' B' ' 596' ' ' THR . 60.9 mt -80.8 120.31 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.743 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.542 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.5 t -98.9 117.63 33.85 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 169.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -96.5 121.63 38.52 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 52.3 m -97.81 117.44 32.12 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.302 0.573 . . . . 0.0 110.802 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.469 HD13 HD21 ' B' ' 609' ' ' LEU . 2.6 mm? -99.09 98.68 9.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.633 174.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.007 -175.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.266 0.555 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -139.73 158.18 68.46 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.486 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.89 147.82 60.3 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.377 2.051 . . . . 0.0 110.077 168.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.576 ' HB3' HD23 ' B' ' 583' ' ' LEU . 4.8 p-90 -60.6 -15.33 26.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -168.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.643 ' HA ' HG12 ' A' ' 41' ' ' VAL . 55.0 t60 -77.08 84.0 3.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.879 168.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.4 t -139.18 -12.81 1.2 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.137 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' B' ' 581' ' ' ILE . 0.0 OUTLIER -153.05 1.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.668 -173.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -89.92 133.05 34.61 Favored Pre-proline 0 N--CA 1.445 -0.711 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.938 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HD3' ' H ' ' B' ' 652' ' ' PHE . 93.9 Cg_endo -83.88 169.16 11.96 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.837 2.358 . . . . 0.0 113.066 -177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.709 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 76.8 t80 -127.06 -12.97 5.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.496 172.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 pp 60.13 -63.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.387 1.475 . . . . 0.0 111.964 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' H ' ' HG ' ' A' ' 44' ' ' LEU . . . -177.83 165.07 1.28 Allowed Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.62 93.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.379 2.053 . . . . 0.0 111.854 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' HB3' ' CG1' ' B' ' 634' ' ' VAL . 14.6 m -65.74 116.91 7.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.509 177.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -80.12 141.95 15.0 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.371 2.047 . . . . 0.0 112.856 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.69 82.28 2.45 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.743 2.296 . . . . 0.0 111.314 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 9.3 m -65.77 -32.64 74.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.041 0.924 . . . . 0.0 110.254 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.29 162.36 19.98 Favored Pre-proline 0 C--N 1.307 -1.272 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.586 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' B' ' 576' ' ' MET . 74.5 Cg_exo -50.13 140.71 32.26 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.326 2.017 . . . . 0.0 111.676 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.04 -3.31 13.61 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.212 2.608 . . . . 0.0 112.761 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -101.92 104.17 14.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.333 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 69.43 -21.18 0.16 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 169.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 22.9 mmt -65.07 167.22 8.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.18 123.21 18.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.134 0.492 . . . . 0.0 110.681 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.534 ' N ' ' HE3' ' B' ' 590' ' ' LYS . . . 104.45 -6.41 45.57 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.633 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 19.6 m -69.17 134.17 48.92 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 28.6 mm -99.77 118.37 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-O 121.279 0.561 . . . . 0.0 109.885 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.493 HG13 HD11 ' B' ' 594' ' ' LEU . 21.4 mm -100.01 131.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.238 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -102.41 116.28 32.3 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' B' ' 598' ' ' ASP . 83.6 mt -81.23 172.08 14.07 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.265 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.17 90.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -67.78 -16.78 64.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.505 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.88 5.74 41.02 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.552 172.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -87.05 153.08 21.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.509 0.654 . . . . 0.0 110.229 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 63.2 mt -115.98 125.35 52.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.313 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.79 155.07 50.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.522 0.677 . . . . 0.0 111.553 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 578' ' ' GLY . 1.9 mmmm -69.64 136.42 51.13 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.331 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 579' ' ' SER . 4.3 t -45.46 -47.89 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 121.276 0.56 . . . . 0.0 112.342 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -70.26 -19.7 63.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.572 -170.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.84 -3.84 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.129 0.49 . . . . 0.0 110.959 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 581' ' ' ILE . 54.6 mt -59.0 126.64 28.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.4 154.32 18.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.5 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.597 ' OG1' HD11 ' B' ' 684' ' ' ILE . 12.0 t -61.12 -32.1 71.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.914 0.388 . . . . 0.0 110.823 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.16 -29.58 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.594 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 72.6 m-20 -67.4 -43.59 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.093 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.58 -38.78 67.78 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.509 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 70.1 mt -52.04 -58.03 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 O-C-N 123.336 0.397 . . . . 0.0 110.411 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.544 ' O ' HG13 ' B' ' 605' ' ' ILE . 78.3 mt-30 -57.08 -46.83 82.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.0 m -53.44 -41.99 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.899 0.381 . . . . 0.0 111.558 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 610' ' ' LYS . . . -76.56 -34.32 58.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 34.9 mt-10 -72.59 -40.32 66.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 0.0 111.132 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.08 -30.63 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.588 0.708 . . . . 0.0 110.183 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 31.2 m -92.6 171.27 9.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.994 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -119.21 -32.55 4.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.075 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 -31.38 63.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.464 HD12 HD23 ' B' ' 688' ' ' LEU . 0.3 OUTLIER -100.87 150.7 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.552 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 35.6 pttt -162.14 146.66 12.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 111.188 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.0 mm -88.78 152.96 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.463 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 20.7 t70 -122.18 158.8 28.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.4 m -118.29 96.82 5.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.534 ' HB3' ' HB3' ' B' ' 632' ' ' PHE . 72.6 m -115.84 105.45 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.243 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 33.3 m -84.08 111.97 19.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -174.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -55.61 118.26 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 111.308 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.35 -21.67 17.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.122 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -161.98 141.05 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . 0.43 HG12 HG23 ' B' ' 630' ' ' ILE . 96.6 mt -124.64 117.27 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.8 mt-10 -117.57 140.52 49.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.252 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.35 139.01 30.99 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.5 t -105.09 145.94 29.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -78.33 70.75 4.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 122.511 1.148 . . . . 0.0 110.451 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 71.1 m -158.64 143.18 11.56 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 113.583 -1.644 . . . . 0.0 108.096 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -49.17 110.04 0.32 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.049 2.499 . . . . 0.0 113.792 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 61.62 32.81 82.76 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.542 177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.601 HG22 ' CD2' ' B' ' 646' ' ' LEU . 31.4 t -109.65 127.7 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 117.703 0.752 . . . . 0.0 111.977 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.25 136.03 34.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.559 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.9 OUTLIER -98.48 114.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.558 0.694 . . . . 0.0 110.374 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.43 HG23 HG12 ' B' ' 619' ' ' ILE . 8.9 mm -91.63 116.46 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.156 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 6.3 tt0 -94.32 111.56 23.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' B' ' 614' ' ' SER . 98.2 m-85 -103.78 150.49 24.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.072 -174.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -94.34 104.44 16.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.597 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 47' ' ' SER . 88.1 t -92.2 124.51 44.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.492 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 87.88 178.29 47.71 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.715 174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.43 -12.19 60.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -95.65 -2.31 48.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 56.87 52.51 9.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.836 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.36 120.64 19.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.29 148.65 45.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.42 0.629 . . . . 0.0 112.607 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.4 t -149.77 115.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.352 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.3 p -104.38 113.3 26.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.846 0.355 . . . . 0.0 111.014 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.568 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.9 p -123.25 123.57 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.029 0.442 . . . . 0.0 111.515 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.486 ' CG ' ' HB ' ' B' ' 629' ' ' VAL . 40.7 mt-10 -84.35 106.03 15.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.644 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.537 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.7 t -117.52 163.12 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.4 mt -71.11 142.28 50.78 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 170.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.615 HG23 ' SG ' ' B' ' 662' ' ' CYS . 29.7 m -68.1 -18.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.187 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.439 ' HA ' ' SG ' ' B' ' 662' ' ' CYS . 0.0 OUTLIER -81.46 -5.04 57.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -179.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -72.53 127.18 90.34 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.776 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.58 131.12 22.22 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.773 2.315 . . . . 0.0 112.379 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.38 104.05 9.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.383 0.611 . . . . 0.0 111.13 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.605 ' H ' ' HD3' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -72.13 125.58 27.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.723 HG12 ' NE2' ' B' ' 656' ' ' GLN . 15.5 t -108.85 125.15 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.53 -172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.541 ' O ' HD11 ' B' ' 600' ' ' ILE . 84.1 t80 -32.4 -59.47 0.31 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.753 1.621 . . . . 0.0 115.239 -166.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -138.21 21.76 3.11 Favored Glycine 0 C--N 1.314 -0.66 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.691 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.772 ' NE2' HG13 ' B' ' 682' ' ' VAL . 2.2 mp0 -107.46 -32.78 7.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.25 -170.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.81 -176.32 22.52 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.52 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.19 102.18 14.84 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 39.9 m -127.39 168.03 15.4 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.761 0.791 . . . . 0.0 112.923 -168.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 55.4 m -150.95 157.81 43.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.554 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' B' ' 677' ' ' LEU . 83.4 m -74.14 -12.54 60.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.785 0.326 . . . . 0.0 111.125 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' B' ' 665' ' ' ARG . 21.5 p -149.58 76.45 9.07 Favored Pre-proline 0 N--CA 1.446 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 109.723 174.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.788 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 78.5 Cg_exo -52.15 -37.45 69.45 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 122.662 2.241 . . . . 0.0 112.099 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.78 -53.16 60.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.043 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.714 ' HB3' ' SG ' ' B' ' 662' ' ' CYS . 65.6 ttt180 -69.79 -40.44 75.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.624 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.789 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 12.1 m -63.88 -39.21 93.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.447 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 48.2 p -77.6 -35.6 52.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.105 -0.372 . . . . 0.0 111.655 175.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 1.7 mm-40 -60.89 -51.49 69.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . . . . . . . . . 21.5 mt -94.6 -32.76 13.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.66 -168.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' B' ' 666' ' ' THR . 10.6 m-85 -107.02 -7.21 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.671 -176.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.5 m-20 63.94 14.29 8.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.358 -177.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.7 tp -97.87 113.15 63.32 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.9 Cg_endo -73.54 138.95 27.72 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.33 2.02 . . . . 0.0 111.903 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.789 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.1 OUTLIER -143.12 154.58 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.634 -173.259 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.439 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 5.0 m -88.21 152.85 21.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -74.16 108.01 6.7 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.731 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' B' ' 661' ' ' CYS . 25.6 tp -67.38 132.48 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.856 176.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 41.8 m -149.17 179.02 8.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.91 134.12 26.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 104.75 -14.51 49.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.516 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.656 ' O ' HG12 ' B' ' 616' ' ' VAL . 76.4 m-20 -91.81 100.09 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.224 0.535 . . . . 0.0 110.816 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.772 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -70.28 112.43 5.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 121.537 0.684 . . . . 0.0 110.814 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 41.0 t -69.78 145.94 51.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.043 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.597 HD11 ' OG1' ' B' ' 596' ' ' THR . 64.9 mt -81.48 107.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.255 171.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 22.0 t -90.27 117.09 28.74 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 168.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' B' ' 688' ' ' LEU . 0.2 OUTLIER -105.5 119.07 38.18 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 15.3 t -99.63 128.73 45.74 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 38' ' ' HIS . 57.4 mt -111.08 99.4 8.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.441 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.465 ' NZ ' ' HB3' ' B' ' 689' ' ' LYS . 3.9 mmmp? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.752 HG11 HD22 ' B' ' 588' ' ' LEU . 8.6 m . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.201 0.524 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' B' ' 573' ' ' PRO . 7.1 m-85 -120.31 132.3 24.16 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.608 173.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.37 128.04 14.21 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.946 2.431 . . . . 0.0 111.279 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.477 ' HB3' ' HA ' ' B' ' 583' ' ' LEU . 11.6 p-90 -46.48 -34.11 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' B' ' 688' ' ' LEU . 21.7 p80 -71.69 59.67 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.488 0.661 . . . . 0.0 111.703 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.5 t -117.11 -19.2 9.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.639 0.733 . . . . 0.0 109.953 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -128.36 0.19 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.466 -174.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 38' ' ' HIS . 6.7 p -119.82 110.48 36.73 Favored Pre-proline 0 N--CA 1.44 -0.933 0 CA-C-O 121.178 0.513 . . . . 0.0 110.741 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -92.18 -169.06 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.84 2.36 . . . . 0.0 111.871 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -118.15 146.83 43.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -82.69 29.68 0.44 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -174.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 76.45 157.91 0.15 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.813 -170.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 87.5 Cg_exo -49.22 115.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.403 2.069 . . . . 0.0 112.316 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.632 ' HB3' HG11 ' B' ' 634' ' ' VAL . 14.7 m -66.06 105.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.335 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 17.9 pt20 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.659 0.266 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 150.71 31.48 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.743 2.296 . . . . 0.0 111.742 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -65.94 82.43 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.773 2.315 . . . . 0.0 112.108 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 p -77.11 138.14 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.583 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 671' ' ' ASP . 16.9 mt -99.47 161.68 23.75 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.816 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -47.91 151.21 3.98 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.566 2.177 . . . . 0.0 112.11 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 93.9 Cg_endo -80.05 -8.33 14.25 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 C-N-CA 122.958 2.438 . . . . 0.0 114.716 -168.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.35 -97.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 23.9 p90 -112.5 4.28 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 -175.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.411 ' SD ' ' HB3' ' B' ' 670' ' ' PHE . 16.4 mmt -63.02 159.58 16.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.988 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 85.2 tttt -55.51 124.09 16.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 0.0 111.639 -174.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 103.23 -11.01 54.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.868 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -69.08 138.79 54.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.442 HG22 HG12 ' A' ' 34' ' ' VAL . 28.5 mm -90.91 108.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.655 0.74 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.475 HG13 HD11 ' B' ' 594' ' ' LEU . 23.2 mm -90.79 127.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.646 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 43.8 tt0 -104.3 119.6 39.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 0.0 111.014 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.6 mt -80.35 174.42 11.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.769 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -70.2 -26.99 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.841 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.6 p-10 -79.05 -11.84 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.479 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 107.2 -0.66 35.24 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.623 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.628 ' HB2' HD12 ' B' ' 583' ' ' LEU . 32.7 mt-10 -65.48 144.11 57.25 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.542 0.686 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.752 HD22 HG11 ' A' ' 34' ' ' VAL . 28.2 mt -123.25 98.99 6.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.492 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -132.69 153.67 50.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -65.31 146.36 55.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.212 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.53 HG13 HD13 ' A' ' 40' ' ' LEU . 5.0 t -49.14 -49.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 123.597 0.561 . . . . 0.0 112.078 -173.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.498 ' CB ' ' HG2' ' B' ' 673' ' ' PRO . 13.0 pt-20 -72.94 -18.71 61.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.83 -172.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -92.22 -11.03 36.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.913 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 40' ' ' LEU . 27.5 mt -62.27 128.98 38.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.288 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -103.82 167.75 9.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.608 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.639 ' O ' HD13 ' B' ' 600' ' ' ILE . 7.6 t -58.69 -45.93 88.38 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.778 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 45.7 mt-10 -63.55 -27.61 69.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.415 -173.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 64.6 m-20 -51.82 -52.74 46.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.926 0.869 . . . . 0.0 108.895 173.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -73.84 -36.27 64.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.498 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.639 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -50.15 -58.66 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.998 0.427 . . . . 0.0 110.554 176.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.558 ' O ' HG13 ' B' ' 605' ' ' ILE . 93.8 mt-30 -60.12 -41.02 91.7 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.038 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 54.2 m -55.88 -49.24 73.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.75 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -71.84 -30.06 65.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.223 0.535 . . . . 0.0 111.203 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.224 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 601' ' ' GLN . 69.6 mt -72.69 -48.17 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 53.6 m -92.75 103.91 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.584 0.23 . . . . 0.0 110.454 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -60.17 -24.66 64.93 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 5.3 m-20 -65.25 -21.83 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.266 0.555 . . . . 0.0 110.375 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.45 ' HB3' HD11 ' B' ' 686' ' ' LEU . 1.6 mm? -110.11 158.55 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.483 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 59.7 pttt -153.56 140.64 19.37 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.648 175.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.75 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.8 mm -83.34 148.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.461 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 30.4 t70 -129.98 149.84 51.53 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 6.1 p -125.21 102.56 7.52 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.259 0.552 . . . . 0.0 110.469 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 75.6 m -126.35 117.74 23.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.405 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.531 ' OG1' HG22 ' B' ' 682' ' ' VAL . 34.8 m -79.47 116.14 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.689 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -62.47 116.39 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 121.116 0.484 . . . . 0.0 110.467 170.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . 0.505 ' OE2' ' HB2' ' B' ' 633' ' ' ALA . 22.5 mt-10 -93.32 -20.27 20.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.059 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -161.11 156.2 24.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.278 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 69.3 mt -135.95 112.91 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.749 ' HB2' HG13 ' B' ' 629' ' ' VAL . 9.1 mm-40 -110.16 136.51 49.27 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.761 -171.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.58 129.07 36.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.242 0.544 . . . . 0.0 109.676 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.1 m -97.83 153.9 17.99 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.488 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -84.38 65.94 9.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.015 0.912 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 41.5 m -156.13 147.35 16.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.314 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.99 110.7 0.38 Allowed 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 123.454 2.769 . . . . 0.0 113.702 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.4 33.71 82.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.869 -1.059 . . . . 0.0 113.303 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' B' ' 646' ' ' LEU . 35.0 t -109.63 126.71 66.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.41 0.605 . . . . 0.0 111.872 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -136.95 131.31 32.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.293 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -93.54 117.81 37.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 121.487 0.661 . . . . 0.0 109.788 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 12.2 mm -89.88 120.41 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.083 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.46 112.46 24.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.928 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.665 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.4 m-85 -106.91 149.08 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.957 -174.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.505 ' HB2' ' OE2' ' B' ' 617' ' ' GLU . . . -103.64 111.47 23.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.371 168.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 47' ' ' SER . 66.7 t -91.0 126.85 43.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.625 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 73.04 -163.89 54.94 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.55 -0.75 . . . . 0.0 113.445 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.47 -36.48 63.32 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -90.81 14.64 13.04 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.745 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 53.37 46.75 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.342 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.0 115.1 3.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 35.7 mt-30 -88.72 134.13 34.01 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.569 0.7 . . . . 0.0 112.284 -168.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.9 119.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.688 176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 39.7 m -100.99 109.63 21.57 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.71 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.8 p -117.92 123.66 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.454 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 51.3 mt-10 -82.55 107.34 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.727 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.16 146.55 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.912 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.687 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -71.49 133.79 46.09 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 27.3 m -61.32 -15.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.384 -173.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.598 ' HB3' ' CD ' ' B' ' 665' ' ' ARG . 7.2 pt-20 -84.84 3.34 38.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.378 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 8.0 m-85 -83.49 120.49 75.55 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.459 ' HA ' ' OG ' ' B' ' 660' ' ' SER . 23.9 Cg_exo -65.27 141.89 70.74 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.828 2.352 . . . . 0.0 111.438 175.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.4 107.6 7.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.553 0.692 . . . . 0.0 110.993 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.36 131.59 45.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.737 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 6.0 t -113.61 132.11 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.582 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.426 ' N ' HG13 ' B' ' 684' ' ' ILE . 48.3 t80 -67.37 72.21 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 113.492 -166.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.578 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.32 -2.13 60.9 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.035 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.737 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 2.2 mp0 -96.46 -33.78 11.74 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 146.73 166.76 12.47 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.73 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 97.1 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 15.3 m -120.81 169.89 9.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.285 0.564 . . . . 0.0 111.892 -168.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 70.1 m -142.95 156.33 44.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.594 169.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 57.0 m -59.76 -22.2 61.78 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.678 0.611 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.498 ' HB2' ' HB ' ' B' ' 647' ' ' VAL . 45.4 t -159.32 87.73 2.1 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.702 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.758 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 47.1 Cg_exo -56.28 -28.49 71.92 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.001 2.467 . . . . 0.0 111.362 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 32.9 mt-10 -54.59 -61.76 2.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.564 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.598 ' CD ' ' HB3' ' B' ' 648' ' ' GLU . 19.6 ttm180 -70.93 -40.35 72.12 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.692 -175.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.565 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 14.4 m -61.47 -42.67 99.14 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.581 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -77.32 -29.11 53.42 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.194 -0.316 . . . . 0.0 110.792 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.482 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 31.6 mt-30 -56.96 -51.85 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 112.283 175.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.1 mt -98.34 -37.23 9.72 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.666 -169.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . 0.411 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 16.9 m-85 -103.8 -5.89 21.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.581 ' HA ' ' O ' ' B' ' 667' ' ' SER . 11.5 m-20 56.29 19.95 4.29 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.374 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.535 HD22 ' HD2' ' B' ' 673' ' ' PRO . 0.3 OUTLIER -99.62 109.9 56.93 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -171.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.535 ' HD2' HD22 ' B' ' 672' ' ' LEU . 28.7 Cg_endo -64.52 132.19 32.37 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.959 2.44 . . . . 0.0 112.236 -176.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.758 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.1 OUTLIER -141.41 146.67 36.86 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.535 -176.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.6 m -76.21 151.68 36.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -72.72 107.74 5.34 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.372 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.25 138.98 55.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.484 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 11.8 t -156.53 171.46 20.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.214 0.53 . . . . 0.0 111.04 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -58.52 132.47 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.894 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 107.32 -21.4 31.01 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.1 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.689 ' O ' HG12 ' B' ' 616' ' ' VAL . 81.9 m-20 -83.43 113.57 20.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.127 0.489 . . . . 0.0 111.101 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.709 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 83.8 t -71.7 105.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 85.6 m -78.88 141.35 37.73 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.149 0.5 . . . . 0.0 111.549 -172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.562 HG23 HG23 ' B' ' 611' ' ' ILE . 85.2 mt -83.15 104.97 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.175 174.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.671 ' CB ' HD12 ' A' ' 44' ' ' LEU . 43.5 t -95.03 118.34 31.68 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -99.55 127.94 45.65 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.004 0.431 . . . . 0.0 110.018 -176.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 89.0 m -98.3 119.03 36.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.799 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.465 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.9 mm? -99.06 97.74 8.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 608' ' ' ASP . 4.3 mmmp? . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.003 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG11 HD22 ' B' ' 588' ' ' LEU . 6.9 m . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 8.2 m-85 -119.59 137.95 26.09 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.697 169.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.4 133.57 37.2 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.537 2.158 . . . . 0.0 110.537 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' B' ' 583' ' ' LEU . 14.5 p-90 -53.17 -26.29 16.67 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 123.784 0.678 . . . . 0.0 112.801 -170.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 82.3 t60 -74.83 82.98 2.15 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.482 0.658 . . . . 0.0 110.02 170.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t -139.63 -61.79 0.53 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.832 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HG13 ' B' ' 591' ' ' VAL . 0.1 OUTLIER -79.49 -29.48 41.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.454 176.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 10.3 p -81.94 115.12 55.42 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 121.365 0.602 . . . . 0.0 110.493 177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -92.22 -160.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.713 2.275 . . . . 0.0 111.84 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -145.9 143.63 29.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' B' ' 685' ' ' SER . 0.0 OUTLIER -80.33 161.51 25.01 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB ' ' B' ' 643' ' ' VAL . . . -46.82 131.52 8.6 Favored Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -41.12 103.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.964 3.109 . . . . 0.0 113.121 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.1 p -80.32 -78.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.705 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.803 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.62 154.67 54.81 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.777 2.318 . . . . 0.0 112.251 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.64 35.98 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.891 2.394 . . . . 0.0 111.821 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.1 p 49.07 -170.1 0.02 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.155 0.982 . . . . 0.0 112.9 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.24 152.83 40.54 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.046 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.627 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 88.5 Cg_exo -47.26 136.56 18.98 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.864 2.376 . . . . 0.0 112.615 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.522 ' HA ' ' OG ' ' B' ' 579' ' ' SER . 96.9 Cg_endo -78.12 -0.15 10.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 124.097 3.198 . . . . 0.0 113.47 -170.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -56.81 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.378 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.521 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.2 p90 -136.88 1.83 2.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.123 0.487 . . . . 0.0 110.167 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 36.9 mtt -78.82 162.13 26.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 82.9 tttt -54.36 130.94 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -172.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.19 61.8 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.696 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 16.1 m -67.99 147.28 52.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.691 0.281 . . . . 0.0 110.765 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.514 HG22 HG12 ' A' ' 34' ' ' VAL . 38.9 mm -96.08 111.65 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.308 0.575 . . . . 0.0 110.073 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.441 HG13 HD11 ' B' ' 594' ' ' LEU . 21.8 mm -96.07 132.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.486 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.23 117.41 34.17 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.17 0.509 . . . . 0.0 111.1 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' B' ' 598' ' ' ASP . 71.5 mt -84.83 161.86 19.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.205 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.423 ' HB3' ' CA ' ' B' ' 602' ' ' SER . . . -66.83 -19.01 65.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.949 -171.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -84.05 -5.93 59.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.398 . . . . 0.0 110.602 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.32 9.14 57.1 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.882 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.32 150.28 21.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.924 0.862 . . . . 0.0 110.083 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 34' ' ' VAL . 36.6 mt -116.13 126.61 53.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.249 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -138.05 157.6 46.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.737 0.303 . . . . 0.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -75.71 143.37 42.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 40' ' ' LEU . 4.9 t -46.73 -46.39 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.39 -25.71 64.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -97.07 -2.94 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.278 0.561 . . . . 0.0 111.252 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 40' ' ' LEU . 53.6 mt -61.93 122.81 16.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.328 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.26 163.01 12.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.309 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.451 HG21 ' HA2' ' B' ' 655' ' ' GLY . 8.9 t -61.15 -38.85 87.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.41 -28.71 69.98 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.676 ' HB3' HD13 ' B' ' 583' ' ' LEU . 73.9 m-20 -64.32 -49.32 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.185 0.517 . . . . 0.0 110.121 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.5 -37.27 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 596' ' ' THR . 62.4 mt -50.82 -57.73 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 123.347 0.404 . . . . 0.0 110.615 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.568 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.6 mt-30 -56.35 -47.95 77.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.137 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.423 ' CA ' ' HB3' ' B' ' 584' ' ' ALA . 62.1 m -52.99 -46.49 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.919 -175.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.688 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -75.32 -28.53 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 111.37 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -71.16 -41.11 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.946 0.403 . . . . 0.0 111.428 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 601' ' ' GLN . 52.9 mt -69.03 -51.32 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.202 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . 0.46 ' HB2' HD23 ' B' ' 609' ' ' LEU . 59.2 m -91.43 112.47 24.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.384 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.83 -22.22 66.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.85 -20.54 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 0.0 110.395 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.547 HD11 HD13 ' B' ' 688' ' ' LEU . 1.1 mm? -110.34 167.95 9.82 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.911 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.542 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 0.1 OUTLIER -169.68 143.56 2.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.133 0.492 . . . . 0.0 111.043 171.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.688 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.2 mm -83.94 146.08 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.443 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.615 ' HB2' ' HB3' ' B' ' 685' ' ' SER . 31.3 m-20 -109.61 165.28 11.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.647 175.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 9.2 m -132.19 105.91 7.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.77 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.649 ' N ' HG23 ' B' ' 682' ' ' VAL . 14.1 m -136.42 109.21 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.925 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 98.9 m -78.31 114.5 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.64 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.784 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.8 p -60.99 121.25 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.442 0.639 . . . . 0.0 110.458 173.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -104.4 -18.54 14.37 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.879 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -157.18 146.18 19.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.619 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.31 124.67 58.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.507 ' HB2' HG13 ' B' ' 629' ' ' VAL . 26.1 mt-10 -123.77 140.85 52.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.47 -176.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.72 136.53 34.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.884 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 18.7 t -103.64 148.6 25.82 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -81.74 64.57 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.011 0.91 . . . . 0.0 109.704 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 38.9 m -153.76 142.06 14.16 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.165 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.13 110.89 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.241 2.628 . . . . 0.0 113.714 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 62.96 31.37 80.38 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.37 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.647 HG22 ' CD2' ' B' ' 646' ' ' LEU . 40.9 t -110.55 132.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 117.597 0.698 . . . . 0.0 112.134 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -139.19 132.84 30.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.003 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.8 OUTLIER -95.86 118.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.588 0.709 . . . . 0.0 110.532 -178.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 8.4 mm -93.12 122.35 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.385 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.89 111.0 23.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.28 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' B' ' 683' ' ' CYS . 92.7 m-85 -106.18 143.25 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.335 -176.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -92.99 100.22 12.7 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.3 t -84.4 129.96 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.969 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.41 177.63 46.64 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.465 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.96 -22.29 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -77.35 -5.24 48.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 49.19 65.49 1.37 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.213 0.945 . . . . 0.0 111.479 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -91.47 116.13 28.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.291 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 26.4 mp0 -67.92 115.1 7.06 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 121.67 0.748 . . . . 0.0 112.724 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 98.8 t -120.63 120.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.274 176.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' B' ' 629' ' ' VAL . 11.2 p -104.14 117.54 34.49 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.4 p -117.16 123.11 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.307 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.475 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 49.5 mt-10 -78.22 102.86 7.81 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.467 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 646' ' ' LEU . 59.8 t -111.47 161.52 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.647 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.5 mt -79.02 139.06 38.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 29.3 m -69.6 -22.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.26 -9.19 59.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.323 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 11.1 m-85 -87.99 130.46 46.36 Favored Pre-proline 0 N--CA 1.447 -0.581 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.277 176.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.458 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 54.8 Cg_endo -82.81 161.52 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.525 2.15 . . . . 0.0 112.956 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.75 114.92 13.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.34 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.11 133.81 50.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.983 HG12 HE21 ' B' ' 656' ' ' GLN . 3.0 t -115.46 131.1 68.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.951 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.61 ' N ' HG13 ' B' ' 684' ' ' ILE . 52.4 t80 -57.51 83.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.581 1.552 . . . . 0.0 114.166 -169.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 89.69 -10.68 72.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.674 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.983 HE21 HG12 ' B' ' 653' ' ' VAL . 2.1 mp0 -86.44 -37.2 18.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.622 0.249 . . . . 0.0 110.389 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 134.56 -155.64 22.03 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.123 -1.037 . . . . 0.0 114.097 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.17 101.65 12.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.025 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 51.0 m -125.55 169.02 12.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.274 0.559 . . . . 0.0 111.916 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 30.5 t -146.29 151.81 38.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.303 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 61.0 m -60.68 -22.32 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.437 0.637 . . . . 0.0 110.146 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 49.2 t -154.58 84.69 3.82 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.444 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 43.4 Cg_exo -58.28 -26.61 77.61 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 111.069 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' B' ' 664' ' ' GLU . 3.9 mp0 -52.06 -69.23 0.12 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.245 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 2.3 ttm180 -63.73 -40.42 96.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.057 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 24.8 m -60.48 -41.89 95.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.899 0.38 . . . . 0.0 110.772 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 23.2 t -79.68 -28.73 40.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.725 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 43.7 mt-30 -61.21 -52.56 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.29 0.567 . . . . 0.0 112.205 176.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.0 mt -97.4 -33.92 11.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.543 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -108.77 0.38 20.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.671 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.594 ' O ' ' HD2' ' B' ' 577' ' ' LYS . 0.8 OUTLIER 57.72 18.59 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.464 -178.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.493 HD12 ' HD2' ' B' ' 673' ' ' PRO . 38.0 tp -102.02 117.52 61.25 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.658 -173.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' B' ' 672' ' ' LEU . 50.2 Cg_endo -74.09 141.14 29.13 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.332 2.022 . . . . 0.0 111.875 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 53.2 m -144.59 153.53 41.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.742 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.3 m -88.03 155.84 19.61 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.43 111.78 7.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.584 -0.846 . . . . 0.0 111.176 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.78 111.67 13.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 22.7 t -136.1 -176.3 4.27 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.321 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.414 HG12 ' H ' ' B' ' 679' ' ' VAL . 2.2 p -62.98 139.83 20.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.173 -176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 101.14 -4.98 55.66 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.911 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.904 ' HB3' HG11 ' B' ' 653' ' ' VAL . 71.5 m-20 -104.09 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.278 0.539 . . . . 0.0 111.582 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.698 HG13 HE22 ' B' ' 656' ' ' GLN . 1.0 OUTLIER -72.7 112.85 9.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 O-C-N 122.045 -0.41 . . . . 0.0 111.131 177.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 31.6 p -66.5 142.19 57.62 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.989 0.423 . . . . 0.0 111.114 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.61 HG13 ' N ' ' B' ' 654' ' ' PHE . 63.0 mt -84.98 100.47 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.097 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 165.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.615 ' HB3' ' HB2' ' B' ' 612' ' ' ASP . 2.3 t -95.22 119.2 33.31 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 173.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -101.57 119.69 39.16 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.8 t -100.01 126.34 46.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.572 0.701 . . . . 0.0 110.256 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.547 HD13 HD11 ' B' ' 609' ' ' LEU . 1.8 mm? -99.61 105.53 17.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.883 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.661 178.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.263 0.554 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.33 153.5 76.43 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.362 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.66 145.65 58.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.625 2.216 . . . . 0.0 110.888 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 5.1 p-90 -58.98 -19.33 42.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -169.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' HD11 ' B' ' 688' ' ' LEU . 77.1 t60 -73.95 73.42 1.64 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.553 0.692 . . . . 0.0 109.441 169.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 t -129.04 -24.59 2.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -137.18 13.68 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.163 -174.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.3 p -123.57 90.86 50.26 Favored Pre-proline 0 N--CA 1.441 -0.899 0 CA-C-O 121.534 0.683 . . . . 0.0 110.396 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.86 -176.69 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.993 2.462 . . . . 0.0 111.825 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -121.32 139.73 53.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.46 40.3 0.29 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.563 -177.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 75.51 159.48 0.16 Allowed Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 123.482 0.713 . . . . 0.0 109.567 -169.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.11 99.21 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.388 2.059 . . . . 0.0 112.706 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 44' ' ' LEU . 12.4 m -55.98 156.83 4.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.348 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.476 178.406 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -78.7 161.58 27.57 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.573 2.182 . . . . 0.0 112.39 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.8 -50.24 7.41 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 123.127 2.551 . . . . 0.0 112.474 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 5.2 m 71.17 150.63 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.813 0.816 . . . . 0.0 111.288 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 2.6 mp -116.52 164.26 18.99 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.386 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' B' ' 576' ' ' MET . 94.7 Cg_exo -44.31 141.51 4.97 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.888 2.392 . . . . 0.0 112.746 174.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 579' ' ' SER . 97.1 Cg_endo -79.59 -1.66 11.65 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.896 3.064 . . . . 0.0 113.691 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -73.83 -84.66 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -119.24 0.21 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.569 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.521 ' O ' HG21 ' B' ' 591' ' ' VAL . 22.4 mmt -69.64 172.58 7.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.517 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.35 133.91 56.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.105 0.478 . . . . 0.0 111.93 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 86.3 -5.99 82.96 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.432 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 16.9 m -65.04 146.62 54.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 39.7 mm -93.86 115.9 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.45 0.643 . . . . 0.0 110.394 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 21.7 mm -103.97 127.82 57.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.86 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 60.0 tt0 -99.89 117.98 35.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 60.4 mt -82.47 171.67 13.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.845 -176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.7 -32.75 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 38.8 p-10 -75.1 -7.75 54.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.474 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.13 3.93 54.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.27 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 28.4 mt-10 -67.84 148.97 50.46 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.533 0.682 . . . . 0.0 112.332 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 60.4 mt -120.69 92.71 3.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.055 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . 0.602 ' HD2' HD23 ' B' ' 594' ' ' LEU . 13.7 ttmm -115.17 159.86 20.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.108 -169.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -82.53 138.55 34.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 576' ' ' MET . 2.9 t -45.82 -48.68 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.77 0.669 . . . . 0.0 111.772 -173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 592' ' ' GLU . 9.5 pt-20 -72.1 -20.7 61.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.825 -1.079 . . . . 0.0 112.5 -171.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . 0.415 ' O ' ' HE2' ' B' ' 595' ' ' LYS . 29.7 t70 -108.67 -0.81 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.389 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.602 HD23 ' HD2' ' B' ' 589' ' ' LYS . 29.2 mt -54.97 129.43 37.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.222 168.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' B' ' 593' ' ' ASP . 69.0 mmtt -102.63 158.7 16.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.45 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 9.6 t -59.54 -37.05 77.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.791 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 48.0 mt-10 -63.95 -28.97 70.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.028 -178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 73.0 m-20 -65.76 -43.84 87.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.86 -41.37 68.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.32 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 57.7 mt -51.39 -58.52 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 123.605 0.566 . . . . 0.0 110.883 175.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 605' ' ' ILE . 46.0 mt-30 -55.65 -47.04 77.33 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.243 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.531 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.2 m -52.61 -45.95 66.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.584 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -78.38 -22.99 47.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 60.7 mt-10 -76.58 -36.89 57.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 601' ' ' GLN . 66.7 mt -64.39 -23.56 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.061 172.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 69.7 m 55.63 79.29 0.16 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.194 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -106.07 62.9 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 171.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.46 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 16.9 m-20 66.61 35.54 5.29 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.78 -172.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.569 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 14.9 mt -149.14 129.55 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.791 -171.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.536 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 56.5 mtmt -139.64 145.47 38.52 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' B' ' 603' ' ' ALA . 1.5 mm -83.95 152.23 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.682 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -122.32 148.19 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 13.0 p -118.49 99.52 6.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.584 0.707 . . . . 0.0 111.215 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.65 ' N ' HG23 ' B' ' 682' ' ' VAL . 74.8 m -128.69 113.56 15.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.231 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 93.9 m -89.64 117.49 28.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -61.84 121.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.207 0.527 . . . . 0.0 110.902 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.44 -19.85 15.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.477 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -155.19 149.32 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 73.0 mt -136.97 129.06 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -134.73 138.56 44.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.053 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.21 134.51 38.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t -97.67 16.86 19.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.028 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 71.38 -41.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.155 0.582 . . . . 0.0 111.433 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 60.8 m -56.22 146.84 49.64 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 123.052 0.541 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -49.22 111.71 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.769 2.979 . . . . 0.0 113.747 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 60.64 31.5 75.27 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.704 -1.135 . . . . 0.0 113.123 177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.732 HG22 ' CD2' ' B' ' 646' ' ' LEU . 37.0 t -110.52 125.38 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 117.477 0.638 . . . . 0.0 111.401 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.53 129.91 29.53 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.521 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.4 OUTLIER -92.83 118.76 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.391 0.615 . . . . 0.0 110.285 -179.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.483 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 6.2 mm -90.72 111.08 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.272 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -88.18 110.37 20.64 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.687 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.0 m-85 -104.0 141.94 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.841 -175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -93.03 100.34 12.79 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 168.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 87.8 t -74.4 121.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.745 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.51 -173.7 43.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.004 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -72.06 -19.47 61.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 120.882 0.372 . . . . 0.0 110.522 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -77.44 -15.32 59.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.377 0.608 . . . . 0.0 109.781 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 60.22 37.18 20.72 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.347 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.51 12.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.687 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.6 mt-30 -83.16 117.91 23.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.779 0.8 . . . . 0.0 112.032 -172.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.5 116.67 52.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.587 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.1 m -92.52 105.29 17.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.869 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.5 p -114.02 121.87 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 121.164 0.507 . . . . 0.0 110.868 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.45 104.24 15.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.611 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' B' ' 651' ' ' PHE . 40.4 t -113.39 154.04 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.478 -175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.732 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.6 mt -77.39 138.2 39.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' B' ' 661' ' ' CYS . 27.3 m -64.64 -13.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.65 -2.55 57.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.277 . . . . 0.0 111.27 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 13.0 m-85 -83.22 125.81 73.58 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.562 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 40.3 Cg_endo -86.12 142.41 7.5 Favored 'Trans proline' 0 N--CA 1.445 -1.364 0 C-N-CA 122.513 2.142 . . . . 0.0 111.754 174.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . 0.414 ' CE1' HG11 ' B' ' 645' ' ' VAL . 85.1 m-85 -129.39 121.66 27.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.121 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -66.39 133.91 51.45 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 1.03 HG12 HE21 ' B' ' 656' ' ' GLN . 2.1 t -113.28 128.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.201 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.63 ' HB3' HG13 ' B' ' 682' ' ' VAL . 24.5 t80 -57.83 81.74 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.908 1.683 . . . . 0.0 114.073 -170.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.4 72.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.964 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 1.03 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -86.23 -48.3 8.67 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 152.12 -152.35 24.09 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.008 -1.092 . . . . 0.0 114.04 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -113.48 96.85 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -177.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . 0.507 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 24.5 m -127.78 168.84 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -167.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 93.2 p -144.3 157.23 44.39 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 172.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 68.4 m -61.98 -17.63 57.74 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.129 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 42.9 t -159.26 87.79 2.11 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.29 -35.26 73.74 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.796 2.331 . . . . 0.0 111.866 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.22 -52.93 57.31 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.895 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' B' ' 668' ' ' GLN . 28.8 ttt180 -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.986 -174.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 4.8 m -62.33 -45.68 92.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' B' ' 673' ' ' PRO . 66.1 m -69.54 -37.86 77.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.613 176.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' B' ' 668' ' ' GLN . 2.7 mm-40 -57.96 -51.95 67.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 15.5 mt -92.93 -38.09 11.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -170.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -106.78 -2.77 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.411 -172.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.4 OUTLIER 63.3 6.8 2.56 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.844 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 673' ' ' PRO . 55.7 tp -89.84 116.29 65.99 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.628 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 672' ' ' LEU . 56.8 Cg_endo -77.09 135.53 15.46 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.422 2.082 . . . . 0.0 111.736 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.4 m -134.34 154.54 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.538 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.507 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 21.4 m -80.37 162.35 24.54 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.47 118.03 17.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.384 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.56 HD21 ' SG ' ' B' ' 683' ' ' CYS . 2.9 tm? -84.32 112.42 20.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 62.9 m -149.45 157.71 43.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.999 0.428 . . . . 0.0 111.828 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' B' ' 616' ' ' VAL . 2.7 p -45.2 137.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.991 -172.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 103.92 -3.35 45.0 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.841 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.953 ' HB2' HG11 ' B' ' 653' ' ' VAL . 2.8 p30 -94.7 142.62 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.69 HG13 HE22 ' B' ' 656' ' ' GLN . 0.9 OUTLIER -95.61 106.58 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.486 165.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' B' ' 677' ' ' LEU . 16.4 m -72.14 142.77 49.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.629 0.728 . . . . 0.0 111.33 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.591 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.6 mt -84.89 103.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.177 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 44' ' ' LEU . 66.9 m -103.21 119.44 38.88 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -93.65 137.74 32.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.095 -169.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 609' ' ' LEU . 24.8 m -97.92 118.22 34.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.445 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.494 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.3 mm? -104.6 97.77 7.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 28.0 mmmt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.025 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG13 ' O ' ' B' ' 580' ' ' ILE . 22.2 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.104 0.478 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.32 159.74 28.69 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.185 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.83 143.99 94.54 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.055 1.836 . . . . 0.0 109.683 168.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.689 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 3.8 p-90 -58.32 -13.0 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -173.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HA ' HG12 ' A' ' 41' ' ' VAL . 34.1 t-80 -80.21 52.44 1.57 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.505 0.669 . . . . 0.0 109.732 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.487 ' C ' HD23 ' A' ' 40' ' ' LEU . 28.4 t -109.81 -8.3 14.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.927 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -145.34 -27.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.211 -175.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.3 p -79.96 121.86 82.57 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-O 120.869 0.366 . . . . 0.0 110.03 174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' B' ' 649' ' ' TYR . 42.3 Cg_endo -95.1 -170.13 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.069 2.512 . . . . 0.0 113.547 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -135.52 119.1 16.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -53.39 -40.37 64.99 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -165.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' N ' HD22 ' A' ' 44' ' ' LEU . . . 164.43 154.15 0.06 OUTLIER Pre-proline 0 C--N 1.31 -1.111 0 O-C-N 124.265 0.978 . . . . 0.0 109.171 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.13 97.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.322 2.015 . . . . 0.0 110.267 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HA ' HG21 ' B' ' 641' ' ' VAL . 3.4 m -66.91 125.04 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 -170.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.551 -177.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.51 160.54 25.43 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.06 68.6 5.78 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.838 2.358 . . . . 0.0 111.739 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 19.5 p -62.21 139.24 58.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.429 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.455 ' HB3' ' SD ' ' B' ' 576' ' ' MET . 2.5 mp 58.56 165.14 0.08 OUTLIER Pre-proline 0 N--CA 1.441 -0.913 0 C-N-CA 123.673 0.789 . . . . 0.0 112.388 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.544 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 76.4 Cg_exo -45.06 150.98 0.81 Allowed 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 113.332 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' B' ' 579' ' ' SER . 92.9 Cg_endo -78.18 -1.3 11.48 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.993 3.129 . . . . 0.0 113.596 -172.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' B' ' 576' ' ' MET . 70.3 t80 -92.25 104.68 17.01 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.863 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.559 ' O ' ' HG ' ' B' ' 672' ' ' LEU . 1.6 p90 57.97 -14.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.317 1.847 . . . . 0.0 115.534 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 44.4 mtt -73.83 167.54 21.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 119.346 0.975 . . . . 0.0 110.777 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.21 119.58 6.63 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -168.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 99.94 -8.04 59.27 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.927 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 21.7 m -65.26 139.31 58.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.046 0.45 . . . . 0.0 110.86 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.564 ' O ' HG13 ' A' ' 34' ' ' VAL . 20.7 mm -85.83 122.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.17 175.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.488 HG13 HD11 ' B' ' 594' ' ' LEU . 16.0 mm -109.73 125.81 66.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.491 ' HB2' HG11 ' A' ' 34' ' ' VAL . 34.6 tt0 -97.52 122.42 40.57 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.166 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.507 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 85.5 mt -85.24 169.46 13.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.9 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.078 0.466 . . . . 0.0 111.144 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -69.81 -12.59 61.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.913 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.59 35.54 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.611 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.94 154.37 18.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.662 0.731 . . . . 0.0 110.385 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 580' ' ' ILE . 51.2 mt -113.77 118.83 35.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.556 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' B' ' 594' ' ' LEU . 3.2 mtpm? -127.83 148.88 50.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -71.2 139.66 50.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.51 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.64 ' HB ' HD21 ' B' ' 672' ' ' LEU . 2.8 t -46.16 -48.38 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.056 0.931 . . . . 0.0 111.671 -174.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.38 -14.67 52.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.47 -1.695 . . . . 0.0 113.577 -167.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -126.21 7.19 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.16 0.505 . . . . 0.0 111.613 -175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 40' ' ' LEU . 66.6 mt -59.16 126.98 29.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.421 0.629 . . . . 0.0 111.007 172.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -100.96 161.44 13.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.762 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.511 ' OG1' HD11 ' B' ' 684' ' ' ILE . 9.8 t -68.03 -36.53 80.08 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.808 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.15 -28.74 63.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 79.8 m-20 -64.76 -49.28 71.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.313 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.31 -39.24 68.38 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.356 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 604' ' ' GLU . 62.0 mt -51.27 -58.04 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 O-C-N 123.448 0.468 . . . . 0.0 110.611 174.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 605' ' ' ILE . 44.2 mt-30 -56.46 -46.71 80.25 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.507 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 63.0 m -58.04 -41.17 82.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.484 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' B' ' 606' ' ' SER . . . -77.72 -23.44 49.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.681 0.277 . . . . 0.0 111.528 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 11.3 mm-40 -80.27 -46.5 16.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.926 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 601' ' ' GLN . 39.6 mt -58.87 -52.75 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 171.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . 0.657 ' HB2' ' O ' ' B' ' 603' ' ' ALA . 8.4 t 56.74 -167.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 163.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.7 t30 166.79 -38.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 112.348 -2.206 . . . . 0.0 106.076 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.617 ' H ' HD22 ' B' ' 609' ' ' LEU . 12.8 m-20 -145.59 4.69 1.03 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.827 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.689 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.77 152.95 28.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -168.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -149.59 131.52 15.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.585 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 603' ' ' ALA . 4.2 mm -77.28 151.6 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 172.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 685' ' ' SER . 22.9 t70 -125.29 153.32 43.42 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 16.3 m -120.45 102.47 8.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.256 0.55 . . . . 0.0 109.73 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.56 ' N ' HG23 ' B' ' 682' ' ' VAL . 0.5 OUTLIER -129.49 105.25 7.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.191 -178.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 85.8 m -82.06 112.4 19.09 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.686 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.1 p -56.51 113.41 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 121.327 0.584 . . . . 0.0 110.638 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 5.7 mm-40 -90.19 -20.91 22.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . 0.463 ' HB3' HE21 ' B' ' 631' ' ' GLN . 67.5 ttt180 -162.35 149.58 13.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.683 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.06 129.79 68.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.874 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.676 ' HB2' HG13 ' B' ' 629' ' ' VAL . 64.5 mm-40 -126.15 149.03 49.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.156 0.503 . . . . 0.0 111.91 -173.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.71 144.7 37.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.504 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 47.3 t -105.18 -6.12 20.1 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.092 0.472 . . . . 0.0 110.329 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.0 27.88 9.9 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.466 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 19.3 m -118.9 150.9 49.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 114.62 -1.173 . . . . 0.0 107.932 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -46.91 109.36 0.2 Allowed 'Trans proline' 0 CA--C 1.515 -0.459 0 C-N-CA 122.926 2.418 . . . . 0.0 113.485 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 55.26 36.27 62.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.238 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.599 HG22 ' CD2' ' B' ' 646' ' ' LEU . 34.8 t -117.14 127.7 74.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 117.745 0.773 . . . . 0.0 112.23 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -137.54 141.75 41.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.356 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.676 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -99.31 122.46 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.553 0.692 . . . . 0.0 110.57 179.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.08 112.61 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.886 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.463 HE21 ' HB3' ' B' ' 618' ' ' ARG . 9.8 tt0 -87.56 107.88 18.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.943 0.401 . . . . 0.0 110.031 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.7 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 93.8 m-85 -98.77 141.71 31.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.85 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -97.93 98.73 10.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' B' ' 614' ' ' SER . 42.2 t -81.25 126.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.684 -172.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 83.32 -172.42 50.93 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.713 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.53 -23.23 43.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -80.79 -8.76 59.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.746 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 60.78 48.08 7.34 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.078 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -71.34 115.02 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 91.6 mt-30 -84.22 129.81 34.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.533 0.682 . . . . 0.0 112.156 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 47' ' ' SER . 96.8 t -131.34 122.31 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.011 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . 0.451 ' HB3' HG21 ' B' ' 629' ' ' VAL . 39.9 m -95.96 120.51 36.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.319 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 44' ' ' LEU . 3.4 p -125.64 123.36 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.027 0.441 . . . . 0.0 111.085 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 39.2 mt-10 -90.04 103.0 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.533 HG12 ' N ' ' B' ' 646' ' ' LEU . 21.9 t -115.07 162.45 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.599 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.1 mt -67.76 138.56 56.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.604 170.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.682 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 34.3 m -66.9 -16.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.577 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.19 -3.42 58.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 42' ' ' PRO . 21.2 t80 -81.44 122.57 81.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.811 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.449 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 58.4 Cg_endo -70.54 149.33 61.77 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.895 2.397 . . . . 0.0 112.993 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -137.39 107.44 6.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.71 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -67.78 130.15 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 172.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.995 HG12 HE21 ' B' ' 656' ' ' GLN . 1.6 t -111.75 136.22 48.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 119.726 -0.79 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 684' ' ' ILE . 85.6 t80 -43.47 -52.88 5.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -165.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . . . . . . . . . . . -141.53 19.62 2.6 Favored Glycine 0 CA--C 1.504 -0.633 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.995 HE21 HG12 ' B' ' 653' ' ' VAL . 2.2 mp0 -103.96 -29.3 11.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.413 -0.894 . . . . 0.0 110.15 -169.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 142.38 -177.61 21.5 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.722 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -92.12 92.74 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 29.6 m -118.86 169.22 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -165.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 49.9 m -145.61 152.69 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.22 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 76.5 m -56.84 -25.19 55.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 111.059 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.682 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 22.9 m -153.24 88.86 3.7 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.631 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.701 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 66.2 Cg_exo -53.98 -24.89 33.93 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 123.355 2.703 . . . . 0.0 112.419 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' B' ' 668' ' ' GLN . 31.8 mt-10 -51.83 -62.98 1.29 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.077 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 39.7 mtt180 -65.47 -47.92 74.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.86 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 5.1 m -58.62 -40.05 82.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.752 -175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 57.7 m -78.45 -35.99 45.99 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 175.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 5.1 mm100 -65.73 -51.54 58.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.6 mt -87.47 -34.78 18.56 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.243 -168.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -112.57 0.32 15.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.486 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.576 ' HA ' ' O ' ' B' ' 667' ' ' SER . 0.8 OUTLIER 55.01 23.81 5.43 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.034 -176.05 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.969 HD22 ' HD2' ' B' ' 673' ' ' PRO . 1.6 tm? -106.6 126.36 30.55 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.108 -171.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.969 ' HD2' HD22 ' B' ' 672' ' ' LEU . 66.8 Cg_endo -71.81 140.46 35.42 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 123.278 2.652 . . . . 0.0 112.501 -171.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.86 ' SG ' ' HB ' ' B' ' 666' ' ' THR . 0.5 OUTLIER -152.21 130.32 11.9 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -177.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 19.8 m -77.4 161.46 27.99 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -73.24 112.71 9.54 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.417 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.476 HD21 ' SG ' ' B' ' 683' ' ' CYS . 3.4 tm? -80.38 114.13 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 172.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 179.47 6.58 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.046 0.451 . . . . 0.0 111.261 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.0 p -56.43 131.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.273 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.98 -22.19 19.08 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.257 -173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.905 ' HB3' HG11 ' B' ' 653' ' ' VAL . 38.6 m-20 -87.85 107.42 18.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.896 0.379 . . . . 0.0 111.143 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.667 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.5 OUTLIER -72.24 106.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.793 0.806 . . . . 0.0 110.155 175.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.476 ' SG ' HD21 ' B' ' 677' ' ' LEU . 63.5 m -75.71 146.29 40.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.764 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.54 HG13 ' N ' ' B' ' 654' ' ' PHE . 82.9 mt -82.47 100.66 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.692 172.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.649 ' OG ' HD12 ' A' ' 44' ' ' LEU . 15.8 m -97.75 115.43 27.98 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 172.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.11 127.57 55.98 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.054 0.454 . . . . 0.0 111.005 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 11.2 t -99.56 133.61 43.64 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.081 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.499 HD22 HD12 ' B' ' 609' ' ' LEU . 2.3 mm? -98.31 100.84 12.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.162 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.414 -178.366 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG11 HD22 ' B' ' 588' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.062 0.458 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -103.83 154.69 37.84 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.149 -165.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -52.47 136.04 55.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.983 2.456 . . . . 0.0 111.223 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.69 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 4.1 p-90 -59.53 -21.02 59.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -171.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' HB2' HD21 ' B' ' 688' ' ' LEU . 86.0 t60 -71.71 76.36 0.84 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.349 0.595 . . . . 0.0 109.965 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB3' HD23 ' A' ' 40' ' ' LEU . 47.0 t -136.48 -6.52 1.99 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.071 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 591' ' ' VAL . 0.0 OUTLIER -149.05 -31.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.992 -172.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.56 118.01 69.3 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.27 -175.19 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 113.443 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -139.94 112.63 7.97 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.564 HD12 ' OG ' ' B' ' 685' ' ' SER . 0.0 OUTLIER -64.83 157.73 26.97 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' O ' HD22 ' A' ' 44' ' ' LEU . . . -49.02 140.37 11.6 Favored Pre-proline 0 N--CA 1.467 0.39 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 128.37 6.73 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.743 2.962 . . . . 0.0 112.616 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.451 ' HA ' HG21 ' B' ' 641' ' ' VAL . 2.9 p -63.77 100.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.25 -179.081 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.699 0.285 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.52 144.42 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.171 1.914 . . . . 0.0 111.987 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.11 7.56 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.782 2.322 . . . . 0.0 112.125 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 27.0 p 48.66 -161.33 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.993 0.917 . . . . 0.0 112.071 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.457 HD21 ' O ' ' B' ' 577' ' ' LYS . 1.0 OUTLIER -67.36 164.83 33.78 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' B' ' 571' ' ' LEU . 68.6 Cg_exo -40.97 141.0 1.04 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.346 2.697 . . . . 0.0 113.968 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' B' ' 579' ' ' SER . 96.7 Cg_endo -79.68 -7.79 14.64 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.77 2.98 . . . . 0.0 113.794 -171.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -92.4 115.14 27.83 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.592 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 62.97 -20.36 0.05 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 166.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . . . . . . . . . 35.7 mtt -73.04 171.47 12.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 118.659 0.663 . . . . 0.0 110.414 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' B' ' 671' ' ' ASP . 57.6 tttp -45.92 128.71 9.23 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.524 ' HA2' ' HD3' ' B' ' 590' ' ' LYS . . . 70.29 12.09 68.65 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.703 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 60.5 m -70.23 130.34 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.2 mm -79.03 122.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 10.9 mm -110.39 135.02 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.872 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.404 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 58.0 tt0 -105.34 118.59 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.968 0.413 . . . . 0.0 110.691 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.63 ' HB2' ' OE2' ' B' ' 587' ' ' GLU . 89.5 mt -81.56 -179.38 7.35 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.39 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -68.85 -35.42 76.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.424 . . . . 0.0 111.105 -175.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.501 ' HB3' ' OE2' ' B' ' 587' ' ' GLU . 45.7 t30 -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.549 0.69 . . . . 0.0 109.771 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 104.27 14.85 23.14 Favored Glycine 0 N--CA 1.439 -1.119 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.553 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' B' ' 583' ' ' LEU . 1.3 pm0 -75.45 162.16 28.59 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 171.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.49 HD22 HG11 ' A' ' 34' ' ' VAL . 35.0 mt -127.83 118.86 24.47 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.498 -176.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.87 153.73 50.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.015 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . 0.524 ' HD3' ' HA2' ' B' ' 578' ' ' GLY . 90.6 mttt -81.42 150.6 28.29 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.511 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' LEU . 2.2 t -46.3 -49.3 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.15 -168.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.445 ' HB3' ' HG2' ' B' ' 673' ' ' PRO . 9.4 pt-20 -73.05 -12.95 61.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.4 -167.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -106.37 -1.4 23.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.079 0.466 . . . . 0.0 110.824 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 46.9 mt -65.49 126.23 27.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.97 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -105.07 165.43 11.09 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.112 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.535 HG21 ' HA2' ' B' ' 655' ' ' GLY . 10.4 t -57.47 -40.42 78.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.913 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.15 -30.92 70.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.34 -176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' B' ' 583' ' ' LEU . 15.3 m-20 -63.52 -49.22 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.374 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.82 -37.29 67.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.578 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 596' ' ' THR . 74.4 mt -52.62 -57.61 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.394 174.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.545 ' O ' HG13 ' B' ' 605' ' ' ILE . 54.2 mt-30 -58.63 -45.14 89.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 56.6 m -52.27 -43.92 64.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.6 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -77.35 -30.16 53.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.815 0.34 . . . . 0.0 111.425 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.87 -37.59 64.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.715 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 601' ' ' GLN . 61.0 mt -64.73 -18.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.577 0.703 . . . . 0.0 109.661 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' B' ' 607' ' ' ASN . 85.8 p 67.87 157.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.098 -1.41 . . . . 0.0 114.134 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 606' ' ' SER . 2.4 t30 173.48 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.763 175.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.583 ' H ' HD22 ' B' ' 609' ' ' LEU . 26.6 m-20 -140.24 2.34 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.703 174.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.69 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -111.56 156.01 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -170.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.46 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 18.7 ptpt -156.21 140.17 16.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.855 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.6 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.3 mm -83.46 153.17 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.365 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 36.0 t70 -130.92 156.31 45.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 5.5 p -135.63 107.66 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.893 0.378 . . . . 0.0 110.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.565 ' HB2' ' SG ' ' B' ' 683' ' ' CYS . 44.1 m -131.72 122.53 26.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.435 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.479 ' OG1' HG22 ' B' ' 682' ' ' VAL . 23.1 m -83.21 120.19 25.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.532 0.206 . . . . 0.0 111.282 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -64.64 120.27 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.137 0.494 . . . . 0.0 110.592 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -98.1 -19.35 18.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' B' ' 620' ' ' GLU . 30.6 ttm180 -158.85 158.56 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 83.0 mt -141.36 117.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 629' ' ' VAL . 33.2 mt-10 -124.19 136.12 53.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.022 0.439 . . . . 0.0 111.338 -173.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.81 137.37 37.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.44 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 623' ' ' HIS . 4.3 t -102.61 6.08 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' B' ' 622' ' ' SER . 17.4 m-70 73.77 -37.24 0.37 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.46 0.704 . . . . 0.0 111.528 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 33.3 m -53.33 144.01 32.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.979 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.83 110.26 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.278 2.652 . . . . 0.0 113.596 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.96 36.04 86.21 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.398 -1.273 . . . . 0.0 113.145 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.682 HG22 ' CD2' ' B' ' 646' ' ' LEU . 46.6 t -112.14 123.64 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 117.43 0.615 . . . . 0.0 111.762 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.57 133.36 41.98 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.926 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 643' ' ' VAL . 0.2 OUTLIER -92.8 119.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.548 0.69 . . . . 0.0 109.868 176.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.9 mm -93.71 109.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.63 110.2 17.5 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 69.9 m-85 -103.16 146.23 28.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.256 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -109.04 104.62 13.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.601 173.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.499 HG22 ' OG ' ' B' ' 614' ' ' SER . 17.8 t -92.54 115.43 31.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.832 -177.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.05 177.56 25.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.358 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.82 -32.49 57.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -78.3 -13.94 59.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 109.248 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . 0.595 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 61.0 mtt180 68.54 71.16 0.29 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.161 171.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.09 114.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 173.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 88.4 mt-30 -84.76 124.09 31.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.186 0.517 . . . . 0.0 111.08 -175.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 47' ' ' SER . 60.5 t -122.94 127.98 74.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.786 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.3 p -103.98 104.47 14.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 4.3 p -114.46 122.92 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.931 0.396 . . . . 0.0 111.177 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 39.9 mt-10 -83.97 115.83 22.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.4 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.86 149.09 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.682 ' CD2' HG22 ' B' ' 627' ' ' VAL . 5.3 mt -71.06 137.45 48.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.672 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 29.8 m -63.91 -9.48 5.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -0.59 57.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.111 -0.368 . . . . 0.0 110.903 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -85.95 115.02 60.15 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.997 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.99 152.92 79.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.898 2.399 . . . . 0.0 112.878 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -136.61 109.84 7.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.973 HG12 HE21 ' B' ' 656' ' ' GLN . 1.7 t -117.46 126.6 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 -174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.522 ' N ' HG13 ' B' ' 684' ' ' ILE . 60.0 t80 -64.07 88.96 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.12 1.368 . . . . 0.0 113.901 -169.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 87.45 -4.79 85.86 Favored Glycine 0 C--N 1.32 -0.332 0 C-N-CA 120.14 -1.029 . . . . 0.0 111.792 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.973 HE21 HG12 ' B' ' 653' ' ' VAL . 1.7 mp0 -98.16 -41.59 7.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.644 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 149.1 -173.58 28.95 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 119.887 -1.149 . . . . 0.0 114.123 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -97.5 93.34 6.4 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 49.8 m -120.63 169.64 10.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.431 -167.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 45.3 t -143.38 156.44 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.349 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . 0.491 ' O ' ' HE3' ' B' ' 676' ' ' LYS . 50.9 m -57.8 -24.71 58.58 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.599 . . . . 0.0 110.7 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 27.0 m -160.86 88.51 1.69 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.3 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 47.0 Cg_exo -55.54 -31.24 77.86 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 123.109 2.54 . . . . 0.0 111.557 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -52.03 -53.38 42.63 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.301 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 50.7 ttt180 -77.37 -40.82 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 25.2 m -59.52 -39.86 85.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 8.4 t -79.86 -28.97 39.94 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.3 mm100 -63.59 -51.56 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 175.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.4 mt -87.74 -39.52 14.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.943 -170.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -112.61 2.01 16.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.275 -172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' B' ' 667' ' ' SER . 17.4 m-20 56.69 17.79 3.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.599 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' B' ' 673' ' ' PRO . 0.0 OUTLIER -96.8 112.03 59.2 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -172.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' B' ' 672' ' ' LEU . 41.5 Cg_endo -68.78 132.94 26.11 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.813 2.342 . . . . 0.0 112.157 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 66.1 m -138.2 151.91 48.14 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.63 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 15.8 m -85.31 159.59 20.0 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 171.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 661' ' ' CYS . 21.2 tptm -76.89 113.52 14.66 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.936 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.75 108.0 12.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 69.1 m -128.17 173.72 9.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.323 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -57.83 132.11 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.107 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.58 -17.73 23.14 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.254 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.941 ' HB3' HG11 ' B' ' 653' ' ' VAL . 31.3 m-20 -88.39 147.62 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.261 0.553 . . . . 0.0 110.753 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.479 HG22 ' OG1' ' B' ' 615' ' ' THR . 92.4 t -102.57 108.3 23.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' B' ' 614' ' ' SER . 25.4 p -63.94 143.58 57.75 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 111.498 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 654' ' ' PHE . 89.2 mt -89.28 99.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 165.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.564 ' OG ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -90.6 115.44 27.72 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -97.17 126.85 42.63 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 120.564 -0.454 . . . . 0.0 109.792 -175.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.46 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 88.7 m -97.62 118.23 33.67 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.242 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 38' ' ' HIS . 3.1 mm? -98.57 105.23 17.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.258 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 689' ' ' LYS . 11.5 mmmm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.916 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 HD22 ' B' ' 588' ' ' LEU . 11.1 m . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.375 0.607 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 574' ' ' TYR . 2.8 m-85 -108.28 141.08 22.44 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.518 171.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.1 132.3 38.03 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.481 2.12 . . . . 0.0 110.534 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.642 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 24.7 p-90 -52.61 -27.8 18.55 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' B' ' 688' ' ' LEU . 54.1 t-80 -74.75 76.05 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 169.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' HD1' ' B' ' 574' ' ' TYR . 33.1 t -131.38 -10.91 3.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.84 0.829 . . . . 0.0 109.848 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 HD12 ' B' ' 581' ' ' ILE . 0.0 OUTLIER -129.03 -45.3 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.223 -172.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.18 117.3 41.76 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.842 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 6.5 Cg_exo -74.12 134.98 20.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.632 2.221 . . . . 0.0 111.268 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -80.82 109.45 15.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' B' ' 632' ' ' PHE . 6.4 tp -54.14 147.95 12.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.916 174.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.66 120.75 82.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.64 124.52 16.0 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.999 2.466 . . . . 0.0 112.628 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -85.52 -39.7 17.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.412 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.092 -178.64 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.69 153.44 33.92 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.534 2.156 . . . . 0.0 111.486 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.48 -3.78 13.69 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.702 2.268 . . . . 0.0 112.036 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 23.2 p -117.57 134.97 54.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.558 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 56.0 mt -72.49 148.12 90.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.477 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.627 ' O ' ' HB2' ' B' ' 576' ' ' MET . 70.8 Cg_exo -50.43 138.3 38.88 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.028 2.485 . . . . 0.0 112.48 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 62.0 Cg_endo -80.64 -0.33 10.55 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 124.002 3.135 . . . . 0.0 114.123 -169.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . 0.628 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -63.2 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.484 ' O ' HG11 ' B' ' 591' ' ' VAL . 23.8 p90 -129.04 1.77 5.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.299 0.571 . . . . 0.0 109.687 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.627 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.7 mpt? -68.53 164.19 21.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.323 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 87.3 tttt -59.63 120.15 8.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 111.923 -173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 110.2 -15.25 30.6 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.662 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' B' ' 591' ' ' VAL . 11.6 m -62.37 141.46 58.31 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.487 HG22 HG12 ' A' ' 34' ' ' VAL . 44.7 mm -94.16 107.79 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.547 0.689 . . . . 0.0 109.946 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 29.4 mm -91.14 120.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.693 -176.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -101.16 125.27 47.77 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.029 0.443 . . . . 0.0 110.994 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' B' ' 598' ' ' ASP . 49.9 mt -85.43 173.53 10.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.494 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 602' ' ' SER . . . -61.86 -34.3 75.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.052 0.453 . . . . 0.0 111.23 -178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.9 p-10 -74.01 -13.58 60.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.606 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.67 43.37 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.882 173.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.439 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.1 pt-20 -94.87 156.59 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.0 0.9 . . . . 0.0 110.32 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 34' ' ' VAL . 52.9 mt -115.15 123.38 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.367 -172.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . 0.568 ' NZ ' ' HA ' ' B' ' 594' ' ' LEU . 4.5 mtpm? -135.33 144.0 46.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.991 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.71 138.8 57.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.484 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -46.59 -48.4 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.975 0.893 . . . . 0.0 111.034 -176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.77 -19.52 65.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.248 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -111.81 4.11 18.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.464 -173.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.568 ' HA ' ' NZ ' ' B' ' 589' ' ' LYS . 46.0 mt -60.78 144.08 53.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.356 0.598 . . . . 0.0 109.954 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -137.42 138.5 39.88 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -173.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' B' ' 652' ' ' PHE . 15.0 t -44.96 -31.49 1.3 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -161.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.24 -27.87 69.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' B' ' 583' ' ' LEU . 1.4 p30 -65.41 -53.23 46.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.106 0.479 . . . . 0.0 111.127 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.91 -36.67 85.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.523 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.641 ' O ' ' HG3' ' B' ' 604' ' ' GLU . 62.5 mt -56.84 -58.15 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 174.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.59 ' O ' HG13 ' B' ' 605' ' ' ILE . 73.4 mt-30 -58.19 -50.61 72.93 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.436 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' B' ' 583' ' ' LEU . 13.2 p -53.27 -48.72 68.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.13 0.49 . . . . 0.0 111.314 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -66.04 -39.66 90.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.581 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 46.7 mt-10 -67.26 -35.22 79.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.068 0.461 . . . . 0.0 111.112 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.59 HG13 ' O ' ' B' ' 601' ' ' GLN . 63.1 mt -65.74 -8.87 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.054 174.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 48.8 m 59.75 74.1 0.46 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.746 163.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 7.9 t-20 -114.12 50.04 0.96 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 607' ' ' ASN . 48.9 m-20 80.51 9.35 1.22 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.541 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.642 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.018 -0.427 . . . . 0.0 111.112 178.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -149.34 140.81 23.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.029 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.8 mm -89.56 147.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 38.6 t70 -130.87 150.99 51.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.154 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . 0.497 ' HB3' HG21 ' B' ' 682' ' ' VAL . 49.7 m -113.1 119.58 38.34 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.675 ' N ' HG23 ' B' ' 682' ' ' VAL . 50.5 p -137.32 105.37 5.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 91.6 m -77.19 113.67 15.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.772 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -61.34 117.28 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 0.0 111.134 173.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' B' ' 633' ' ' ALA . 11.5 mm-40 -93.31 -20.9 19.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.246 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 47.3 ttm-85 -160.6 147.39 15.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 0.0 111.039 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 80.0 mt -128.73 118.44 47.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.665 ' HB2' HG13 ' B' ' 629' ' ' VAL . 12.0 mm-40 -115.47 139.19 50.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.761 -173.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.47 143.49 27.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.299 0.571 . . . . 0.0 111.311 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 24.5 t -118.69 144.41 46.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.842 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -72.69 -16.06 61.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 42.9 m -61.06 138.46 94.24 Favored Pre-proline 0 N--CA 1.445 -0.689 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 15.0 Cg_exo -56.61 112.39 1.08 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.17 2.58 . . . . 0.0 113.963 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 65.86 35.02 90.28 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.571 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.635 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.7 t -114.16 134.62 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.164 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -135.39 133.7 38.97 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.42 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.1 OUTLIER -95.79 116.25 37.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-O 121.626 0.727 . . . . 0.0 109.757 177.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.473 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.4 mm -95.46 118.39 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.068 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 28.6 tt0 -91.14 111.32 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.8 m-85 -105.13 146.52 29.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' B' ' 617' ' ' GLU . . . -101.1 98.54 8.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.82 126.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.172 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.97 175.46 50.48 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.24 -12.2 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.659 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.57 -13.94 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 109.566 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 60.12 50.44 6.49 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.754 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -72.21 117.98 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.779 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 90.2 mt-30 -88.37 127.34 35.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.546 0.689 . . . . 0.0 112.204 -171.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 48.1 t -119.94 133.88 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.97 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 51.0 m -110.58 103.97 12.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.786 0.327 . . . . 0.0 110.133 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 6.1 p -116.54 124.29 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 121.085 0.469 . . . . 0.0 111.197 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.422 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 44.1 mt-10 -88.94 104.13 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.982 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.463 HG12 ' N ' ' B' ' 646' ' ' LEU . 86.8 t -115.79 157.5 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -67.49 137.55 55.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.19 0.519 . . . . 0.0 110.109 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' B' ' 662' ' ' CYS . 24.2 m -65.79 -15.13 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.343 -174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.4 0.17 53.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.5 ' HA ' ' HD3' ' B' ' 650' ' ' PRO . 9.2 m-85 -78.49 123.42 85.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 177.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.721 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 1.8 Cg_endo -80.17 108.02 2.13 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.535 2.157 . . . . 0.0 112.026 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.14 118.84 28.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.846 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.1 OUTLIER -73.93 122.03 21.92 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 1.006 HG11 ' HB3' ' B' ' 681' ' ' ASP . 1.7 t -109.25 132.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.857 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.634 ' HB3' HG13 ' B' ' 682' ' ' VAL . 53.8 t80 -61.99 82.36 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.024 1.329 . . . . 0.0 113.337 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.01 -29.63 10.34 Favored Glycine 0 C--N 1.322 -0.215 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.371 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.913 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -70.1 -37.78 75.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.59 0.233 . . . . 0.0 110.577 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 139.13 -161.8 25.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.936 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.721 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -101.05 98.16 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.2 m -125.25 168.22 13.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' B' ' 650' ' ' PRO . 30.6 m -146.23 153.86 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.613 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 79.5 m -70.4 -8.06 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.46 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 664' ' ' GLU . 50.6 t -159.99 81.71 2.35 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.343 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.754 ' HA ' ' SG ' ' B' ' 674' ' ' CYS . 46.5 Cg_exo -56.64 -25.59 60.49 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 122.695 2.263 . . . . 0.0 111.051 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' B' ' 662' ' ' CYS . 38.3 mt-10 -54.04 -62.39 1.69 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.612 174.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 18.1 mtt180 -64.92 -49.24 71.19 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' B' ' 674' ' ' CYS . 7.4 m -58.51 -40.24 82.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.794 0.331 . . . . 0.0 111.143 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.627 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 75.0 m -78.35 -34.83 48.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 664' ' ' GLU . 17.1 mt-30 -63.89 -52.36 60.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.6 mt -92.94 -37.33 12.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.37 -167.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -110.31 0.36 18.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' B' ' 667' ' ' SER . 3.3 m-20 60.18 9.93 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.331 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.0 tp -89.64 119.72 69.52 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.639 0.257 . . . . 0.0 110.628 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' B' ' 672' ' ' LEU . 49.7 Cg_endo -72.02 134.96 24.36 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.505 2.137 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' B' ' 663' ' ' PRO . 0.5 OUTLIER -145.09 141.52 28.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 -173.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 21.0 m -79.52 161.9 25.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -76.87 117.6 18.64 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.614 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.98 116.95 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.5 m -136.54 172.84 12.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.971 0.415 . . . . 0.0 111.307 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.6 p -56.99 135.99 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.289 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 108.57 -14.86 35.36 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.351 -173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 1.006 ' HB3' HG11 ' B' ' 653' ' ' VAL . 68.1 m-20 -95.88 118.82 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.825 0.345 . . . . 0.0 111.193 -174.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.675 HG23 ' N ' ' B' ' 614' ' ' SER . 1.1 p -73.06 107.43 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.531 ' SG ' ' HE1' ' B' ' 632' ' ' PHE . 61.3 m -75.63 141.77 42.75 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.504 0.669 . . . . 0.0 110.766 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.527 HD11 ' OG1' ' B' ' 596' ' ' THR . 90.3 mt -83.31 109.47 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.564 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 5.0 t -88.89 117.97 28.27 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 172.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.462 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -105.75 118.9 37.77 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 10.1 t -104.53 120.95 42.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 609' ' ' LEU . 1.6 mm? -90.15 101.18 13.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.036 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 29.0 mmmt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.608 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG21 HD22 ' B' ' 588' ' ' LEU . 8.0 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.068 0.461 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 2.9 m-85 -93.15 142.35 25.22 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.422 -169.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.35 137.57 64.52 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.776 2.317 . . . . 0.0 110.617 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB3' HD23 ' B' ' 583' ' ' LEU . 20.9 p-90 -51.98 -33.65 38.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.3 p80 -68.03 86.28 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.645 0.735 . . . . 0.0 110.737 174.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -147.15 -56.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.849 0.833 . . . . 0.0 109.713 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.1 OUTLIER -89.24 -26.23 21.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.161 177.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -80.29 115.97 58.41 Favored Pre-proline 0 N--CA 1.443 -0.778 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.595 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.557 ' HG3' ' O ' ' B' ' 650' ' ' PRO . 29.0 Cg_endo -97.18 -163.96 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 123.135 2.556 . . . . 0.0 112.16 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -147.17 129.97 16.14 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.025 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.15 98.59 2.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.258 1.028 . . . . 0.0 110.132 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . 63.23 -175.22 0.03 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.751 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 75.8 Cg_exo -53.62 -34.45 73.46 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.597 1.532 . . . . 0.0 112.178 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.7 p 53.54 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.17 0.988 . . . . 0.0 113.092 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.708 176.535 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.827 0.346 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.22 150.68 33.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.926 2.418 . . . . 0.0 111.789 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.16 -166.97 0.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.901 2.401 . . . . 0.0 112.43 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 8.5 m -76.4 -18.7 58.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.187 0.994 . . . . 0.0 110.077 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 70.4 mt -77.93 153.07 80.26 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.455 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' B' ' 576' ' ' MET . 49.1 Cg_exo -54.74 134.81 64.66 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.282 1.988 . . . . 0.0 111.767 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 95.8 Cg_endo -79.32 -0.34 10.66 Favored 'Trans proline' 0 C--N 1.331 -0.357 0 C-N-CA 123.689 2.926 . . . . 0.0 113.428 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . 0.402 ' HD1' ' CD2' ' A' ' 35' ' ' PHE . 25.0 t80 -58.57 -71.98 0.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.412 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.519 ' O ' HG11 ' B' ' 591' ' ' VAL . 7.1 p90 -141.49 0.9 1.52 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.173 0.511 . . . . 0.0 109.995 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.623 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.6 mpt? -67.75 162.98 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.931 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 78.8 tttt -52.64 126.75 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.98 70.81 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.386 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 17.1 m -69.83 148.36 49.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.704 0.288 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.524 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 47.5 mm -94.89 124.21 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.133 0.492 . . . . 0.0 109.735 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.508 HG13 HD11 ' B' ' 594' ' ' LEU . 22.2 mm -107.82 123.4 63.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.964 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.22 121.43 33.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.112 0.482 . . . . 0.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' B' ' 598' ' ' ASP . 78.7 mt -84.95 170.4 13.08 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.184 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' B' ' 602' ' ' SER . . . -56.51 -42.08 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 587' ' ' GLU . 31.9 p-10 -67.58 -15.53 63.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 102.4 13.27 31.05 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.832 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 585' ' ' ASN . 8.8 pt-20 -95.57 152.41 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.039 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.524 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 64.0 mt -114.48 134.9 54.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.649 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . 0.54 ' HD3' HD23 ' B' ' 594' ' ' LEU . 11.2 mtpt -138.07 166.43 24.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.073 176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 40' ' ' LEU . 9.2 t -50.01 -48.68 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.556 0.693 . . . . 0.0 111.146 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -67.67 -27.96 67.29 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.211 -174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.47 4.37 50.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.347 0.594 . . . . 0.0 111.486 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 40' ' ' LEU . 52.5 mt -65.85 129.64 40.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.335 0.588 . . . . 0.0 110.437 172.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -102.59 159.05 15.79 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.094 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.515 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.0 t -67.57 -34.51 77.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.524 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.79 -28.95 69.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.627 ' HB3' HD13 ' B' ' 583' ' ' LEU . 70.4 m-20 -66.98 -46.95 73.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.256 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . 0.4 ' HA ' ' OG ' ' B' ' 602' ' ' SER . 6.4 m-85 -72.63 -36.25 68.0 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.46 ' HA ' HG13 ' B' ' 611' ' ' ILE . 67.2 mt -50.88 -56.88 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 172.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.577 ' O ' HG13 ' B' ' 605' ' ' ILE . 48.7 mt-30 -59.06 -47.07 86.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' B' ' 584' ' ' ALA . 96.4 p -52.95 -49.98 64.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 111.342 -174.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.495 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -61.15 -45.34 95.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.094 0.473 . . . . 0.0 110.582 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 600' ' ' ILE . 6.8 mm-40 -63.53 -40.3 96.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.759 -175.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.577 HG13 ' O ' ' B' ' 601' ' ' GLN . 64.0 mt -70.75 -24.13 24.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.875 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 19.9 m -92.2 -33.68 14.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 7.0 t30 74.81 -46.15 0.59 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.119 0.568 . . . . 0.0 111.304 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 689' ' ' LYS . 9.6 m-20 -67.72 -29.51 68.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.202 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 688' ' ' LEU . 1.8 mm? -93.71 137.13 33.28 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.599 171.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -135.12 134.2 40.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.946 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 684' ' ' ILE . 4.9 mm -81.48 148.91 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.236 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' B' ' 685' ' ' SER . 2.1 t0 -125.47 168.3 13.81 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 11.4 m -130.44 106.06 8.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.256 0.551 . . . . 0.0 109.962 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.579 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.8 m -126.75 105.61 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.611 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 39.0 m -81.27 110.21 16.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -57.79 113.09 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.624 0.726 . . . . 0.0 110.694 173.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.42 -21.0 20.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.934 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.26 146.5 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.877 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . 0.438 HG12 HG23 ' B' ' 630' ' ' ILE . 80.1 mt -129.38 130.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.249 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' B' ' 629' ' ' VAL . 20.3 mt-10 -129.61 147.48 51.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.989 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.55 139.11 30.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 5.89 49.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.98 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 57.38 27.82 14.42 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.27 0.557 . . . . 0.0 111.02 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' B' ' 627' ' ' VAL . 41.1 m -123.84 148.91 58.07 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.36 109.43 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.012 2.474 . . . . 0.0 113.38 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 58.21 33.9 71.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.466 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' B' ' 646' ' ' LEU . 21.4 t -115.47 129.45 71.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 118.049 0.925 . . . . 0.0 111.949 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -138.34 137.37 37.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.381 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.495 ' HB ' ' HG2' ' B' ' 644' ' ' GLU . 0.2 OUTLIER -99.19 116.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.627 0.727 . . . . 0.0 110.169 178.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.438 HG23 HG12 ' B' ' 619' ' ' ILE . 8.8 mm -95.5 116.79 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.239 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.53 109.9 21.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.818 0.342 . . . . 0.0 110.458 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 97.2 m-85 -106.4 145.26 31.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.621 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' B' ' 638' ' ' ARG . . . -93.52 101.53 13.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 168.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.84 128.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.299 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.18 -165.78 45.49 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.496 -0.775 . . . . 0.0 114.068 168.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -69.76 -36.01 75.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.448 0.699 . . . . 0.0 111.603 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -89.91 4.12 50.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 0.0 110.927 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . 0.434 ' HB3' ' HB1' ' B' ' 633' ' ' ALA . 92.7 mtt180 54.93 48.66 19.46 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.54 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -69.73 113.76 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 48.3 mt-30 -81.96 126.92 32.5 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.558 0.694 . . . . 0.0 111.966 -171.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.98 126.8 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.992 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.4 p -97.72 108.67 21.44 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.939 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 7.6 p -113.9 122.65 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.092 0.472 . . . . 0.0 111.185 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.495 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 47.0 mt-10 -84.39 118.26 24.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.967 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 22.2 m -134.85 161.33 40.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.3 mt -72.7 144.01 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.642 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 28.2 m -69.48 -6.74 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.691 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 2.76 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.808 0.337 . . . . 0.0 110.609 177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.56 123.15 89.17 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.557 ' O ' ' HG3' ' A' ' 42' ' ' PRO . 95.7 Cg_endo -78.57 139.52 16.17 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.543 2.162 . . . . 0.0 111.288 174.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -132.85 115.53 15.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.259 0.552 . . . . 0.0 110.978 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.49 125.39 27.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 1.099 HG12 HE21 ' B' ' 656' ' ' GLN . 1.1 t -108.11 132.09 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.656 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.503 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.8 t80 -40.53 -47.42 2.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -166.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.515 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -147.15 19.87 1.56 Allowed Glycine 0 CA--C 1.504 -0.606 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 1.099 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -105.53 -28.42 10.8 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.679 -0.76 . . . . 0.0 109.774 -169.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 140.78 -177.89 20.5 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.769 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -91.29 96.11 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' B' ' 675' ' ' SER . 31.6 m -122.91 169.33 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 -165.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 97.8 p -144.09 162.14 37.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.3 -28.76 59.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.145 0.497 . . . . 0.0 110.531 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 55.7 m -156.91 89.28 2.61 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.488 -177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 53.1 Cg_exo -53.35 -29.33 47.49 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 123.303 2.668 . . . . 0.0 112.07 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.1 -55.8 18.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.22 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 7.6 ttt180 -74.57 -40.17 61.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 10.3 m -60.78 -41.48 95.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.031 0.443 . . . . 0.0 110.312 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 19.6 t -79.47 -28.37 41.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 8.7 mm-40 -64.91 -51.2 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 13.2 mt -91.07 -39.04 12.4 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.51 -169.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -107.22 -0.41 22.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.758 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' B' ' 667' ' ' SER . 5.8 m-20 61.19 14.7 5.73 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.724 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' B' ' 673' ' ' PRO . 37.6 tp -97.88 120.85 59.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' B' ' 672' ' ' LEU . 32.7 Cg_endo -69.7 134.82 29.04 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 121.904 1.736 . . . . 0.0 111.628 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 35.3 m -137.03 153.08 50.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.382 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.445 ' HB2' ' OG ' ' B' ' 659' ' ' SER . 20.2 m -88.73 161.02 17.03 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . 0.523 ' HG3' ' OG ' ' B' ' 678' ' ' SER . 28.1 tptp -78.05 111.01 13.5 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.403 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -77.22 106.4 8.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . 0.523 ' OG ' ' HG3' ' B' ' 676' ' ' LYS . 67.6 m -128.11 176.23 7.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.6 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.2 p -58.15 130.4 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 111.18 -22.75 20.15 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.57 -172.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.949 ' HB3' HG11 ' B' ' 653' ' ' VAL . 39.2 m-20 -87.19 107.83 18.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.091 -175.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.677 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.4 OUTLIER -72.56 107.88 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.516 0.674 . . . . 0.0 111.767 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.76 146.87 53.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.614 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 611' ' ' ILE . 67.2 mt -84.29 109.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.002 169.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' B' ' 612' ' ' ASP . 8.6 t -92.52 118.58 31.13 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' B' ' 611' ' ' ILE . 0.2 OUTLIER -103.46 121.77 43.52 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.955 -178.151 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . . . . . . . . . 12.7 t -100.95 123.83 45.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.202 0.525 . . . . 0.0 109.7 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' B' ' 609' ' ' LEU . 2.0 mm? -96.56 97.45 9.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.445 -177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.098 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG21 ' OE1' ' B' ' 582' ' ' GLN . 27.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 7.9 m-85 -124.71 137.13 28.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.904 169.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.62 128.26 17.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.722 2.281 . . . . 0.0 110.752 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 29.2 p-90 -50.01 -30.94 11.61 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -167.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CB ' HD11 ' B' ' 688' ' ' LEU . 9.3 p80 -70.85 73.43 0.58 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.797 0.808 . . . . 0.0 110.578 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.4 t -132.66 -31.9 1.32 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.673 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -117.93 11.68 13.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.092 -176.046 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' VAL . 4.5 p -110.96 97.67 35.26 Favored Pre-proline 0 N--CA 1.442 -0.847 0 CA-C-O 121.406 0.622 . . . . 0.0 110.796 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 1.4 Cg_endo -83.91 99.51 0.81 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.843 2.362 . . . . 0.0 111.108 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -57.55 120.51 8.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.871 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.67 111.58 3.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.971 0.891 . . . . 0.0 110.501 -174.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' CD ' ' A' ' 46' ' ' PRO . . . 57.25 -166.62 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.129 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' CD ' ' HB1' ' A' ' 45' ' ' ALA . 8.2 Cg_exo -77.31 20.74 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 121.495 1.464 . . . . 0.0 111.74 166.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 45' ' ' ALA . 39.4 t 62.71 -88.26 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.353 0.661 . . . . 0.0 110.605 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.436 -1.141 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.865 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.647 0.26 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.43 153.35 35.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.795 2.33 . . . . 0.0 112.218 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.11 82.8 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.725 2.283 . . . . 0.0 111.884 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 16.7 p -66.97 129.42 39.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.681 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.64 163.3 52.42 Favored Pre-proline 0 N--CA 1.438 -1.062 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.368 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' B' ' 576' ' ' MET . 15.1 Cg_exo -68.03 139.31 46.52 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.529 2.153 . . . . 0.0 111.438 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 87.4 Cg_endo -80.48 -1.51 11.36 Favored 'Trans proline' 0 C--N 1.334 -0.228 0 C-N-CA 123.732 2.955 . . . . 0.0 113.6 -173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 18.7 t80 -59.4 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.534 ' O ' HG11 ' B' ' 591' ' ' VAL . 15.6 p90 -130.32 0.55 4.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.366 0.603 . . . . 0.0 109.685 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 1.8 mpt? -71.48 164.57 25.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.161 -175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.516 ' HG3' ' OE2' ' B' ' 592' ' ' GLU . 60.4 tttp -51.38 137.39 23.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 83.99 -5.64 78.54 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.756 . . . . 0.0 114.052 170.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 573' ' ' PRO . 15.8 m -66.47 148.19 52.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.105 0.452 . . . . 0.0 110.61 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 34' ' ' VAL . 42.8 mm -95.66 105.0 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.529 0.68 . . . . 0.0 110.038 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 22.5 mm -93.67 136.18 26.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.736 -176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 46.5 tt0 -111.71 124.84 53.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.003 0.43 . . . . 0.0 111.447 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' B' ' 587' ' ' GLU . 30.9 mt -85.37 171.86 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.166 -177.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.7 79.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.986 0.422 . . . . 0.0 111.249 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' B' ' 587' ' ' GLU . 33.4 p-10 -73.62 -9.43 58.66 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.686 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 98.71 13.26 41.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.18 -0.533 . . . . 0.0 113.633 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 26.0 mt-10 -74.43 145.92 43.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 117.44 0.62 . . . . 0.0 112.026 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 34' ' ' VAL . 46.2 mt -119.98 103.7 9.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.942 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -132.85 154.25 50.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.792 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 594' ' ' LEU . 63.9 mmtt -69.78 146.24 51.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.431 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 575' ' ' PHE . 10.6 t -51.86 -49.94 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 123.6 0.563 . . . . 0.0 112.065 -171.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.516 ' OE2' ' HG3' ' B' ' 577' ' ' LYS . 2.0 pm0 -72.18 -25.84 61.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.641 -174.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.67 -18.27 45.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 40' ' ' LEU . 32.6 mt -57.31 119.42 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.329 0.585 . . . . 0.0 110.628 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.35 165.96 11.94 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.626 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.473 HG21 ' CA ' ' B' ' 655' ' ' GLY . 6.8 t -61.29 -36.98 81.55 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.724 -178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.425 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 46.5 mt-10 -60.26 -28.62 68.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.251 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.93 -50.76 70.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.339 0.59 . . . . 0.0 110.366 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . 0.411 ' O ' HD11 ' B' ' 611' ' ' ILE . 3.5 m-85 -72.78 -34.94 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.354 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' B' ' 597' ' ' GLU . 72.7 mt -56.52 -57.97 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.802 174.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.612 ' O ' HG13 ' B' ' 605' ' ' ILE . 40.0 mt-30 -57.28 -49.66 75.38 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.74 -176.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 p -52.78 -50.35 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.113 0.483 . . . . 0.0 111.496 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' B' ' 611' ' ' ILE . . . -66.75 -34.55 78.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.937 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.78 -33.62 72.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 0.0 111.034 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 601' ' ' GLN . 60.8 mt -70.96 -8.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.431 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 76.6 p 54.08 90.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.715 -1.129 . . . . 0.0 113.65 165.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -128.88 61.56 1.51 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.414 ' C ' ' HG ' ' B' ' 609' ' ' LEU . 22.9 m-20 66.44 35.36 5.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.817 -175.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mt -146.61 134.68 21.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 -172.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' B' ' 687' ' ' THR . 89.4 mttt -139.53 141.47 37.28 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 111.399 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' B' ' 603' ' ' ALA . 3.1 mm -86.32 149.53 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.779 172.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 1.7 t70 -125.81 167.88 14.59 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 30.0 p -132.43 113.74 13.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.119 0.485 . . . . 0.0 110.373 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.529 ' N ' HG23 ' B' ' 682' ' ' VAL . 17.5 m -136.05 105.83 6.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.793 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 60.9 m -82.57 116.16 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.757 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -59.96 123.97 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.229 0.538 . . . . 0.0 110.74 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.98 -18.46 14.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.539 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -156.28 155.04 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.597 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 70.7 mt -141.02 123.97 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' B' ' 629' ' ' VAL . 29.9 mt-10 -126.88 140.29 52.45 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -88.55 130.33 35.27 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 2.5 m -100.09 151.72 21.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -71.69 -16.1 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -59.92 137.18 90.61 Favored Pre-proline 0 N--CA 1.444 -0.734 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.47 120.7 7.86 Favored 'Trans proline' 0 CA--C 1.516 -0.386 0 C-N-CA 122.809 2.339 . . . . 0.0 114.319 -170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 67.71 28.63 73.51 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.918 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' B' ' 646' ' ' LEU . 49.9 t -113.4 130.41 67.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 111.852 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -133.04 128.25 35.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.726 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -90.65 113.24 26.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.403 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 10.7 mm -90.84 117.41 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 53.6 tt0 -91.64 116.45 28.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.192 -177.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.529 ' CD2' HD23 ' A' ' 44' ' ' LEU . 98.1 m-85 -110.89 149.56 30.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.569 . . . . 0.0 112.053 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.27 98.86 9.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.313 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.6 130.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.436 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 81.67 -177.82 53.91 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.829 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.64 -22.05 54.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.822 0.344 . . . . 0.0 111.156 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -85.19 -4.62 59.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 61.39 52.65 3.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.101 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -67.38 120.92 14.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.13 146.96 47.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.482 0.658 . . . . 0.0 112.128 -174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 75.5 t -149.47 114.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.694 -178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.2 p -104.25 103.75 13.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.544 HG22 HG23 ' B' ' 645' ' ' VAL . 7.7 p -114.66 122.26 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 121.275 0.559 . . . . 0.0 110.853 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.03 103.38 14.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.987 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 643' ' ' VAL . 7.9 t -116.18 151.17 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.186 -175.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.0 mt -70.43 137.84 50.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.845 174.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.471 HG23 ' HD3' ' B' ' 665' ' ' ARG . 29.3 m -66.23 -6.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.548 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.8 -9.65 55.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' B' ' 646' ' ' LEU . 52.9 m-85 -75.63 117.16 61.47 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.612 0.244 . . . . 0.0 110.792 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.667 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 5.6 Cg_endo -84.65 113.78 1.67 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.705 2.27 . . . . 0.0 111.662 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . 0.693 ' HD2' ' HG ' ' B' ' 683' ' ' CYS . 76.1 m-85 -91.14 126.9 36.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.195 0.521 . . . . 0.0 111.03 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -74.75 131.39 40.79 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.194 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.989 HG12 ' NE2' ' B' ' 656' ' ' GLN . 5.0 t -111.78 121.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.142 0.496 . . . . 0.0 111.661 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.672 ' HB3' HG13 ' B' ' 682' ' ' VAL . 34.6 t80 -55.66 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.949 1.699 . . . . 0.0 114.426 -170.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.473 ' CA ' HG21 ' B' ' 596' ' ' THR . . . 83.05 11.49 81.12 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.016 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.989 ' NE2' HG12 ' B' ' 653' ' ' VAL . 0.0 OUTLIER -112.8 -44.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.048 -0.089 . . . . 0.0 110.886 -178.589 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 150.26 -151.73 23.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.803 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.667 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -114.54 106.34 14.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -175.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 48.3 m -132.25 169.22 16.75 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -167.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 42.1 t -147.87 154.69 40.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.998 175.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 78.2 m -65.86 -17.72 64.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.62 84.66 2.5 Favored Pre-proline 0 N--CA 1.445 -0.724 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.792 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.45 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 75.6 Cg_exo -51.86 -36.25 62.61 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.932 2.422 . . . . 0.0 111.903 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.09 -53.57 51.37 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.602 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.471 ' HD3' HG23 ' B' ' 647' ' ' VAL . 28.7 ttt180 -66.67 -40.6 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.35 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.409 HG21 ' HG3' ' B' ' 650' ' ' PRO . 8.5 m -62.24 -43.25 99.26 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.428 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 17.5 p -74.64 -32.35 62.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 111.377 177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 21.5 mt-30 -57.37 -52.47 65.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 12.8 mt -96.77 -36.64 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.347 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -110.4 -0.61 17.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.119 -173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.4 m-20 62.41 7.45 2.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.081 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' B' ' 673' ' ' PRO . 47.3 tp -91.17 114.45 61.64 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.695 0.283 . . . . 0.0 110.845 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.459 ' HD2' HD12 ' B' ' 672' ' ' LEU . 67.0 Cg_endo -79.51 135.79 11.97 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.676 2.251 . . . . 0.0 112.13 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 26.8 m -132.93 155.42 49.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.595 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 50.0 m -81.82 162.03 23.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 167.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.85 118.04 17.36 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.002 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.29 109.83 8.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 25.1 p -125.36 164.75 19.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 112.107 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' B' ' 616' ' ' VAL . 2.3 p -58.26 131.29 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.738 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 110.22 -21.39 24.55 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.133 -172.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.757 ' O ' HG12 ' B' ' 616' ' ' VAL . 22.7 m-20 -86.68 120.32 27.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' B' ' 654' ' ' PHE . 1.1 p -72.94 116.32 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.426 175.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.693 ' HG ' ' HD2' ' B' ' 651' ' ' PHE . 41.6 t -75.58 143.66 42.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 110.51 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.476 HG23 HG23 ' B' ' 611' ' ' ILE . 78.9 mt -85.9 108.13 17.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.664 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 7.2 t -93.39 118.32 31.16 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.442 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -104.39 121.64 43.82 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -177.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.419 HG22 ' HB2' ' B' ' 610' ' ' LYS . 9.6 t -98.6 130.5 45.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.476 HD22 ' N ' ' B' ' 688' ' ' LEU . 1.4 mm? -103.82 97.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.202 -174.401 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' B' ' 582' ' ' GLN . 3.6 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.305 0.574 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -130.79 144.11 52.11 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.978 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.83 141.93 75.8 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.007 2.472 . . . . 0.0 111.186 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.637 ' CZ2' HD13 ' B' ' 609' ' ' LEU . 15.3 p-90 -60.36 -22.52 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -166.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CB ' HD21 ' B' ' 688' ' ' LEU . 6.6 p80 -72.69 63.04 0.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 t -121.07 -32.09 4.01 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.407 0.622 . . . . 0.0 110.778 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -123.78 11.98 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.391 -173.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.78 112.65 60.26 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-O 121.127 0.489 . . . . 0.0 110.469 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 650' ' ' PRO . 59.6 Cg_endo -73.48 138.9 27.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.433 2.089 . . . . 0.0 111.369 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -88.14 98.98 11.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.037 0.446 . . . . 0.0 111.047 -175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -55.13 122.53 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.161 172.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -57.99 134.56 83.8 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.82 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.61 135.81 48.81 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.2 2.6 . . . . 0.0 112.623 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' B' ' 634' ' ' VAL . 35.3 p -65.78 134.5 53.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.64 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.918 0.762 . . . . 0.0 110.879 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.15 146.73 28.99 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.741 2.294 . . . . 0.0 112.496 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.61 65.46 7.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.872 2.381 . . . . 0.0 111.414 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 18.6 p -68.56 129.99 41.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.268 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 37.3 mt -81.19 156.51 71.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.315 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.621 ' HD2' ' SD ' ' B' ' 576' ' ' MET . 62.1 Cg_exo -40.55 137.34 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.121 2.547 . . . . 0.0 113.352 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' B' ' 579' ' ' SER . 93.5 Cg_endo -76.83 0.37 9.7 Favored 'Trans proline' 0 C--N 1.334 -0.231 0 C-N-CA 124.311 3.341 . . . . 0.0 113.03 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -62.57 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.416 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.435 ' O ' HG11 ' B' ' 591' ' ' VAL . 2.9 p90 -128.48 0.64 5.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.621 ' SD ' ' HD2' ' B' ' 572' ' ' PRO . 33.5 mtt -78.54 162.17 26.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.902 -173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' B' ' 671' ' ' ASP . 86.7 tttt -43.21 123.76 3.03 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -169.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.539 ' HA2' ' CE ' ' B' ' 590' ' ' LYS . . . 81.68 5.38 89.91 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.936 172.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 80.5 p -69.21 139.67 54.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.99 109.78 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.63 0.729 . . . . 0.0 110.517 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.553 HG13 HD11 ' B' ' 594' ' ' LEU . 22.8 mm -95.58 131.3 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.319 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 52.8 tt0 -105.55 119.74 39.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.027 0.441 . . . . 0.0 111.097 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.604 ' HB3' ' OG ' ' B' ' 602' ' ' SER . 84.0 mt -80.81 174.58 11.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.998 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.87 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.943 0.401 . . . . 0.0 111.214 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -75.54 -11.82 60.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 101.12 2.93 54.63 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.506 173.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -86.18 151.28 23.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.657 0.728 . . . . 0.0 110.364 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.26 119.64 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.919 -173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -132.86 157.85 44.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . 0.539 ' CE ' ' HA2' ' B' ' 578' ' ' GLY . 4.0 mmmm -76.53 145.81 38.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.201 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.9 t -49.96 -50.09 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.733 0.646 . . . . 0.0 112.024 -172.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.61 -26.17 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.661 -172.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.02 -9.73 47.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.476 -175.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.553 ' CD1' HD11 ' A' ' 40' ' ' LEU . 47.0 mt -60.23 120.69 10.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 175.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -100.87 162.32 12.99 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.619 HG21 ' HA2' ' B' ' 655' ' ' GLY . 9.9 t -57.52 -34.98 69.68 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.937 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -63.46 -29.48 70.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.147 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' B' ' 583' ' ' LEU . 66.8 m-20 -60.25 -50.97 71.54 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.388 0.614 . . . . 0.0 109.929 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.9 -37.63 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.479 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 596' ' ' THR . 71.3 mt -53.48 -58.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 O-C-N 123.373 0.421 . . . . 0.0 111.004 176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.654 ' O ' HG13 ' B' ' 605' ' ' ILE . 39.2 mt-30 -58.87 -44.21 91.03 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.773 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.604 ' OG ' ' HB3' ' B' ' 583' ' ' LEU . 73.9 m -52.35 -48.53 65.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.67 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.722 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -74.66 -33.01 62.42 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.999 0.428 . . . . 0.0 111.384 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.72 -35.97 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 601' ' ' GLN . 68.3 mt -64.16 -16.68 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.167 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 14.4 m 71.03 105.39 0.06 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.236 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -154.73 51.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.448 ' C ' ' HG ' ' B' ' 609' ' ' LEU . 20.6 m-20 67.17 35.07 4.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.043 -175.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.637 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 12.8 mt -152.54 131.07 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.439 -172.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' B' ' 603' ' ' ALA . 55.1 pttt -140.86 149.73 42.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.818 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' B' ' 603' ' ' ALA . 2.7 mm -91.06 148.81 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 3.0 t70 -131.87 168.06 18.5 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.703 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 57.5 p -130.55 118.17 20.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.895 0.379 . . . . 0.0 110.572 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.532 ' N ' HG23 ' B' ' 682' ' ' VAL . 9.9 m -141.43 118.0 10.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.932 0.396 . . . . 0.0 110.601 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 92.8 m -82.46 119.46 24.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.901 -176.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.764 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.2 p -62.23 115.74 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.055 173.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.27 -22.0 20.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.302 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.17 149.08 17.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.895 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . . . . . . . . . 94.4 mt -134.48 109.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.742 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' B' ' 629' ' ' VAL . 8.0 mm-40 -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.253 -174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.02 125.85 30.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.427 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 13.6 t -100.45 140.94 33.99 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -68.66 -15.0 63.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.536 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 17.2 m -57.68 133.82 82.62 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -51.81 111.33 0.57 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.933 2.422 . . . . 0.0 114.087 -172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.86 33.2 83.33 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.781 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' B' ' 646' ' ' LEU . 60.1 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.07 0.462 . . . . 0.0 111.844 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -140.87 131.55 25.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.597 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.4 OUTLIER -93.48 117.79 37.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.497 0.665 . . . . 0.0 110.267 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 9.6 mm -93.63 108.33 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.74 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 35.8 tt0 -89.07 111.91 22.76 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 88.1 m-85 -104.27 152.21 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.62 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -105.58 103.98 13.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 167.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' SER . 22.0 t -89.7 126.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.77 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.37 -174.66 53.45 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 113.388 172.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.66 -20.93 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.092 0.472 . . . . 0.0 110.514 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -83.05 1.32 40.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.504 0.668 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 40.83 47.0 2.44 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 113.998 -1.455 . . . . 0.0 112.676 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -73.72 123.17 23.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.944 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.778 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 41.0 mt-30 -89.99 124.31 34.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.609 0.719 . . . . 0.0 111.995 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 631' ' ' GLN . 60.2 t -111.48 132.07 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 m -106.31 105.61 15.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.845 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 2.9 p -125.55 122.32 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.081 0.467 . . . . 0.0 110.876 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.487 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 48.8 mt-10 -89.97 103.24 15.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 646' ' ' LEU . 69.3 t -106.32 155.67 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.675 ' CD2' HG22 ' B' ' 627' ' ' VAL . 6.9 mt -71.71 139.4 49.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.784 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.53 -4.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.426 ' HG2' ' NE ' ' B' ' 665' ' ' ARG . 19.2 mt-10 -76.29 -24.45 54.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.077 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -80.77 123.0 82.71 Favored Pre-proline 0 N--CA 1.444 -0.755 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.581 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.648 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 21.0 Cg_endo -79.43 126.26 6.73 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 C-N-CA 122.502 2.134 . . . . 0.0 111.41 176.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.33 119.91 32.35 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.011 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.14 119.98 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 1.04 HG12 HE21 ' B' ' 656' ' ' GLN . 1.8 t -107.1 135.52 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.413 -172.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' B' ' 682' ' ' VAL . 49.1 t80 -62.23 73.93 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.51 1.524 . . . . 0.0 113.607 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.619 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 97.88 -5.85 61.98 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.604 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 1.04 HE21 HG12 ' B' ' 653' ' ' VAL . 2.4 mp0 -92.95 -36.29 12.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 145.39 -174.62 25.33 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.648 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.648 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -94.36 96.1 9.31 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 50.4 m -122.63 169.42 11.06 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -166.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . . . . . . . . . 34.1 t -145.2 153.65 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.43 -13.27 62.27 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.429 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.19 79.36 3.59 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.115 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 52.9 Cg_exo -55.4 -31.44 77.57 Favored 'Trans proline' 0 CA--C 1.513 -0.54 0 C-N-CA 122.569 2.18 . . . . 0.0 110.911 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -52.1 -64.12 0.92 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.356 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 23.2 ttt180 -65.99 -40.0 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.407 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . . . . . . . . . 11.9 m -61.81 -42.84 99.52 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 69.5 m -76.25 -36.79 58.3 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.725 0.298 . . . . 0.0 111.629 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 10.1 mm-40 -56.39 -51.74 67.21 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.9 mt -94.43 -42.27 8.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.174 -169.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -101.25 -1.19 34.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.3 m-20 58.45 16.77 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 46.6 tp -98.78 113.38 64.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.003 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -62.1 142.08 90.92 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.369 2.713 . . . . 0.0 112.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 17.2 m -147.42 147.75 30.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.886 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 17.6 m -77.39 161.04 28.32 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.27 115.51 16.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.165 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.62 121.84 23.05 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 17.8 m -137.48 166.24 24.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.14 0.495 . . . . 0.0 111.424 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.7 p -56.83 134.39 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.007 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.25 -22.78 17.34 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.37 -171.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 1.008 ' HB3' HG11 ' B' ' 653' ' ' VAL . 78.5 m-20 -89.67 119.01 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.302 . . . . 0.0 111.346 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.746 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.63 108.93 3.47 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 O-C-N 121.815 -0.553 . . . . 0.0 110.686 176.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.565 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 98.2 m -80.2 147.75 31.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.277 0.561 . . . . 0.0 111.174 -177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.57 HG23 HG23 ' B' ' 611' ' ' ILE . 96.1 mt -83.11 112.84 21.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.224 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 8.5 t -89.48 118.69 29.31 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -100.21 128.65 46.24 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.367 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.494 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 35.9 m -98.89 117.61 33.78 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.489 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 38' ' ' HIS . 2.4 mm? -94.09 99.1 11.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.82 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.409 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 69.3 mmtt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.043 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 35' ' ' PHE . 13.7 p . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.948 0.404 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 34' ' ' VAL . 84.2 m-85 -135.87 146.86 58.69 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.8 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -55.12 140.3 80.57 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.793 2.329 . . . . 0.0 110.825 170.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ2' ' HG ' ' B' ' 609' ' ' LEU . 8.1 p-90 -58.7 -19.91 43.89 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.6 p80 -73.87 52.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -109.49 -17.58 13.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.63 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -129.0 -26.08 2.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.23 -174.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 38' ' ' HIS . 7.1 p -78.54 118.54 72.97 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.167 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -92.9 120.2 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.042 2.495 . . . . 0.0 112.116 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.49 116.11 12.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 156.19 27.71 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.45 124.71 5.93 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -34.39 106.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.384 3.39 . . . . 0.0 113.24 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB3' HG11 ' B' ' 634' ' ' VAL . 5.8 m -58.88 124.98 21.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.495 -175.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.855 -178.636 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.618 0.247 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.5 158.74 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.361 2.041 . . . . 0.0 111.954 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.87 -58.53 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.813 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 20.6 p -103.08 153.59 20.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.82 159.34 76.59 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' B' ' 576' ' ' MET . 98.3 Cg_exo -43.86 141.49 4.2 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.826 2.351 . . . . 0.0 112.014 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' B' ' 579' ' ' SER . 74.4 Cg_endo -72.81 -6.03 18.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 123.29 2.66 . . . . 0.0 112.84 -173.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -96.14 102.45 14.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.101 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.72 -19.67 0.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 169.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 24.1 mmt -63.18 164.34 8.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.189 0.45 . . . . 0.0 110.291 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 88.3 tttt -60.02 124.09 19.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.123 0.487 . . . . 0.0 111.523 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . . . . . . . . . . . 102.92 -7.7 53.2 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.442 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 573' ' ' PRO . 19.5 m -68.53 138.18 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 588' ' ' LEU . 34.3 mm -91.26 115.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-O 121.29 0.567 . . . . 0.0 110.074 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.514 HG13 HD11 ' B' ' 594' ' ' LEU . 23.9 mm -100.84 129.45 51.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.215 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' B' ' 587' ' ' GLU . 63.6 tt0 -99.01 115.38 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 111.607 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 587' ' ' GLU . 38.9 mt -78.99 169.01 18.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.221 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.63 68.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.785 0.326 . . . . 0.0 111.329 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 35.8 p-10 -81.48 -11.05 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 109.0 1.19 31.78 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.48 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' B' ' 582' ' ' GLN . 34.3 mt-10 -68.72 146.02 53.32 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.538 0.685 . . . . 0.0 112.355 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 580' ' ' ILE . 53.6 mt -126.58 92.73 3.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.241 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -123.05 157.11 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.989 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -70.66 143.91 51.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 40' ' ' LEU . 6.0 t -50.72 -48.94 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 123.638 0.586 . . . . 0.0 112.459 -170.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.25 -20.05 60.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.742 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.7 -9.39 37.95 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.253 0.549 . . . . 0.0 110.755 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.514 HD11 HG13 ' B' ' 581' ' ' ILE . 56.3 mt -58.98 117.07 4.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.127 174.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 598' ' ' ASP . 35.1 mmtp -89.31 161.49 16.34 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.79 ' O ' HD13 ' B' ' 600' ' ' ILE . 14.5 t -61.58 -41.11 96.95 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.16 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 600' ' ' ILE . 41.9 mt-10 -56.35 -28.54 59.35 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.23 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' B' ' 583' ' ' LEU . 85.8 m-20 -61.18 -45.67 93.64 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.46 0.648 . . . . 0.0 109.637 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.37 -37.43 63.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.973 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.79 HD13 ' O ' ' B' ' 596' ' ' THR . 0.8 OUTLIER -50.43 -60.1 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 173.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 605' ' ' ILE . 49.7 mt-30 -57.97 -47.92 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.372 -176.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 15.5 p -59.4 -45.97 90.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.229 0.538 . . . . 0.0 111.315 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.706 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -69.09 -29.07 67.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.745 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . 0.736 ' HG3' ' O ' ' B' ' 600' ' ' ILE . 58.8 mt-10 -72.12 -45.63 59.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.117 0.484 . . . . 0.0 110.447 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 601' ' ' GLN . 73.2 mt -58.8 -36.44 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.834 173.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 8.6 t 63.27 90.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.863 -1.062 . . . . 0.0 113.468 163.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' B' ' 608' ' ' ASP . 65.3 t30 -101.37 59.09 0.88 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.595 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 12.5 m-20 80.5 18.93 0.56 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.426 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.61 ' HG ' ' CZ2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -112.1 161.87 16.04 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.409 176.343 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.465 ' HG2' ' HB ' ' B' ' 687' ' ' THR . 23.2 pttp -159.24 143.67 15.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 169.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.706 HG12 ' HB3' ' B' ' 603' ' ' ALA . 5.2 mm -82.4 150.5 4.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.586 ' HB3' ' CB ' ' B' ' 685' ' ' SER . 10.8 t70 -131.94 152.47 51.07 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 172.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 2.6 p -116.73 102.18 9.21 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.077 0.465 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . . . . . . . . . 69.9 m -124.6 110.01 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.197 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 8.9 m -79.09 117.15 19.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.416 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.705 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.4 p -62.55 117.74 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.083 0.468 . . . . 0.0 110.299 170.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -96.75 -19.57 18.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.23 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -160.0 154.1 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.758 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 678' ' ' SER . 88.3 mt -138.3 122.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.478 ' HB2' HG13 ' B' ' 629' ' ' VAL . 28.4 mt-10 -124.35 133.88 53.31 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.954 0.407 . . . . 0.0 111.004 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.66 133.17 36.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.483 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 22.8 t -100.87 160.05 14.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -78.42 -12.54 60.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' B' ' 625' ' ' PRO . 75.6 m -74.72 143.81 79.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 176.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 624' ' ' SER . 51.5 Cg_exo -51.54 111.67 0.64 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.73 2.953 . . . . 0.0 114.139 -176.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 66.12 30.14 76.3 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.749 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.678 HG22 ' CD2' ' B' ' 646' ' ' LEU . 56.4 t -109.56 130.51 62.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 111.236 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.43 133.14 27.19 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.063 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.5 OUTLIER -90.75 119.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.409 0.623 . . . . 0.0 110.392 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.79 114.32 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.087 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -90.82 112.0 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.705 ' HE1' ' HG ' ' B' ' 683' ' ' CYS . 91.6 m-85 -101.65 148.27 25.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.558 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -108.22 101.84 11.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 166.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 47' ' ' SER . 45.4 t -83.91 128.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.023 0.439 . . . . 0.0 111.698 -173.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 77.13 -169.11 54.9 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.009 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.89 -23.25 44.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.808 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.78 -11.82 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.266 0.555 . . . . 0.0 110.489 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 59.62 47.32 10.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.773 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.87 121.85 15.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.928 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 40.0 mt-30 -84.92 121.45 27.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.533 0.682 . . . . 0.0 111.899 -172.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.53 119.58 60.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.074 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 16.1 p -105.69 110.15 22.36 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.34 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 3.5 p -126.07 123.12 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.93 0.395 . . . . 0.0 111.23 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' B' ' 629' ' ' VAL . 51.8 mt-10 -78.05 113.73 16.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.989 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 38.0 t -121.38 154.05 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.678 ' CD2' HG22 ' B' ' 627' ' ' VAL . 4.2 mt -73.58 138.04 44.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.599 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -11.49 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.949 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.16 -0.73 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.218 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.72 120.45 76.47 Favored Pre-proline 0 C--O 1.236 0.36 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.147 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.68 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 3.7 Cg_endo -83.69 114.23 2.01 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.864 2.376 . . . . 0.0 111.708 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . 0.415 ' HB2' ' HG ' ' B' ' 677' ' ' LEU . 51.5 m-85 -92.24 123.08 35.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.872 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.49 126.47 29.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.729 ' CG1' ' HB2' ' B' ' 656' ' ' GLN . 5.3 t -110.84 124.45 67.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.151 -173.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . 0.465 ' N ' HG13 ' B' ' 684' ' ' ILE . 84.7 t80 -36.53 -53.54 0.87 Allowed 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -164.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.518 ' HA2' HG21 ' B' ' 596' ' ' THR . . . -140.48 18.95 2.82 Favored Glycine 0 C--N 1.313 -0.723 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.729 ' HB2' ' CG1' ' B' ' 653' ' ' VAL . 1.8 mp0 -104.94 -33.73 8.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.34 -0.93 . . . . 0.0 109.683 -170.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.67 175.77 15.43 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 120.265 -0.969 . . . . 0.0 114.235 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.68 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -83.26 99.53 10.04 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 19.3 m -124.23 168.49 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -166.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 650' ' ' PRO . 34.5 t -144.09 150.46 38.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.81 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.12 -17.94 62.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . . . . . . . . . 51.3 t -156.63 86.12 2.96 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.882 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.89 -31.06 79.9 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.442 2.095 . . . . 0.0 111.133 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -52.68 -59.56 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.064 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 28.1 ttm180 -68.25 -41.49 81.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.648 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.412 HG21 ' HG3' ' B' ' 650' ' ' PRO . 21.1 m -62.34 -39.8 94.29 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.485 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 32.3 t -78.51 -28.45 46.29 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 665' ' ' ARG . 4.8 mm-40 -64.95 -51.23 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 10.6 mt -93.61 -37.04 12.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 -170.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -108.43 -3.34 18.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.747 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.653 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 57.0 21.82 6.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.584 -176.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.471 HD12 ' HD2' ' B' ' 673' ' ' PRO . 60.6 tp -101.25 111.73 64.02 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.471 ' HD2' HD12 ' B' ' 672' ' ' LEU . 52.5 Cg_endo -77.22 138.03 17.57 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.211 1.941 . . . . 0.0 111.872 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . . . . . . . . . 57.9 m -137.19 155.51 49.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.246 -177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 m -76.45 160.82 29.18 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.02 118.11 15.57 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.735 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' B' ' 651' ' ' PHE . 3.4 tm? -84.85 114.93 22.46 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 173.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 619' ' ' ILE . 49.7 m -142.9 177.62 8.22 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.4 p -52.79 129.45 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.483 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . . . . . . . . . . . 112.12 -24.61 14.06 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.251 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.705 ' O ' HG12 ' B' ' 616' ' ' VAL . 17.0 m-20 -85.0 113.43 21.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.169 0.509 . . . . 0.0 111.188 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.622 ' HB ' ' NE2' ' B' ' 656' ' ' GLN . 95.9 t -71.13 106.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.211 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.705 ' HG ' ' HE1' ' B' ' 632' ' ' PHE . 73.2 m -76.97 137.25 38.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.27 0.557 . . . . 0.0 110.562 -175.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.533 HD11 ' OG1' ' B' ' 596' ' ' THR . 70.1 mt -77.95 104.89 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.64 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.586 ' CB ' ' HB3' ' B' ' 612' ' ' ASP . 0.8 OUTLIER -80.6 115.5 20.14 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 120.78 41.63 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' B' ' 610' ' ' LYS . 28.4 m -97.52 118.71 34.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 38' ' ' HIS . 3.4 mm? -96.59 98.12 9.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.586 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 608' ' ' ASP . 6.0 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.292 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.762 HG11 HD22 ' B' ' 588' ' ' LEU . 4.4 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.188 0.518 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' B' ' 573' ' ' PRO . 6.9 m-85 -119.35 142.99 33.45 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.375 174.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.31 130.91 34.3 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.409 2.073 . . . . 0.0 110.761 174.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' HD22 ' B' ' 609' ' ' LEU . 18.6 p-90 -49.84 -31.49 12.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -168.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' CB ' HD11 ' B' ' 688' ' ' LEU . 13.1 p80 -68.02 79.52 0.22 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.771 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 t -136.9 -47.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.285 -176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' B' ' 594' ' ' LEU . 0.0 OUTLIER -99.27 -4.5 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.384 -176.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.11 126.71 56.17 Favored Pre-proline 0 N--CA 1.443 -0.812 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG3' ' HA ' ' B' ' 651' ' ' PHE . 97.2 Cg_endo -81.52 156.49 18.93 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.595 2.196 . . . . 0.0 111.833 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -101.01 76.87 1.78 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.254 0.549 . . . . 0.0 110.577 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -52.28 124.27 12.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.201 173.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.589 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -51.15 105.29 0.5 Allowed Pre-proline 0 C--N 1.332 -0.191 0 O-C-N 123.488 0.493 . . . . 0.0 109.817 175.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 55.84 5.14 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.982 2.454 . . . . 0.0 112.68 -170.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.549 ' HB3' ' HB ' ' B' ' 634' ' ' VAL . 68.1 p 56.47 -174.42 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.225 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.958 -178.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.717 0.294 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.43 159.2 40.06 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.665 2.243 . . . . 0.0 111.551 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.17 125.3 10.72 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.396 2.064 . . . . 0.0 111.342 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' THR . . . . . . . . . . . . . 3.1 m 70.48 159.06 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.319 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' B' ' 572' ' ' PRO . 88.9 mt -83.15 170.01 15.8 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' B' ' 576' ' ' MET . 58.3 Cg_exo -51.05 140.86 39.1 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.612 2.208 . . . . 0.0 112.32 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' B' ' 579' ' ' SER . 82.1 Cg_endo -79.36 -2.4 12.27 Favored 'Trans proline' 0 C--N 1.335 -0.174 0 C-N-CA 123.641 2.894 . . . . 0.0 113.987 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -63.72 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' PHE . . . . . 0.44 ' O ' HG11 ' B' ' 591' ' ' VAL . 1.9 p90 -133.21 1.02 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.286 0.565 . . . . 0.0 110.209 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' B' ' 572' ' ' PRO . 21.3 mmt -67.46 161.04 26.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' B' ' 671' ' ' ASP . 79.3 tttt -60.15 124.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.454 -175.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' GLY . . . . . 0.532 ' HA2' ' HE3' ' B' ' 590' ' ' LYS . . . 96.12 3.74 60.21 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.505 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 573' ' ' PRO . 89.4 p -78.78 147.12 33.43 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.487 HG22 HG12 ' A' ' 34' ' ' VAL . 29.6 mm -103.23 114.68 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-O 121.674 0.75 . . . . 0.0 110.162 -178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 37' ' ' TRP . 23.9 mm -92.99 125.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.891 -173.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -103.47 117.46 34.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.161 0.505 . . . . 0.0 111.024 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' B' ' 598' ' ' ASP . 54.9 mt -80.61 165.83 21.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -66.58 -18.82 65.57 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.163 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' B' ' 583' ' ' LEU . 30.3 p-10 -83.76 -6.63 59.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.202 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . 94.2 13.07 55.39 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.689 173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' B' ' 583' ' ' LEU . 11.7 pt-20 -97.73 149.13 22.63 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 117.838 0.819 . . . . 0.0 110.18 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' LEU . . . . . 0.762 HD22 HG11 ' A' ' 34' ' ' VAL . 18.0 mt -114.35 125.89 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.418 -173.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -140.0 162.04 36.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 111.43 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' LYS . . . . . 0.532 ' HE3' ' HA2' ' B' ' 578' ' ' GLY . 0.2 OUTLIER -80.14 144.93 32.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.689 179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' VAL . . . . . 0.44 HG11 ' O ' ' B' ' 575' ' ' PHE . 2.5 t -51.05 -48.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.482 ' HB3' ' HD2' ' B' ' 673' ' ' PRO . 0.5 OUTLIER -82.03 -30.05 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.156 0.503 . . . . 0.0 111.027 -170.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.33 -2.82 57.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.143 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 590' ' ' LYS . 53.5 mt -59.04 134.74 57.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.278 0.561 . . . . 0.0 110.292 169.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -106.72 163.74 12.67 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.132 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . 0.71 ' O ' HD13 ' B' ' 600' ' ' ILE . 15.2 t -60.03 -42.98 95.58 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.404 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' GLU . . . . . 0.466 ' HA ' HG12 ' B' ' 600' ' ' ILE . 43.7 mt-10 -59.08 -28.44 66.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.39 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' B' ' 583' ' ' LEU . 33.3 m-20 -55.69 -50.01 71.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.732 0.777 . . . . 0.0 109.469 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.52 -35.94 65.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.65 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' ILE . . . . . 0.71 HD13 ' O ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -49.84 -58.56 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.128 175.277 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' GLN . . . . . 0.553 ' O ' HG13 ' B' ' 605' ' ' ILE . 74.9 mt-30 -58.85 -49.11 78.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.62 -177.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 79.4 p -52.23 -47.57 65.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.438 . . . . 0.0 111.756 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' B' ' 611' ' ' ILE . . . -73.01 -37.5 66.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.924 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 111.622 -177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 601' ' ' GLN . 87.6 mt -58.74 -25.29 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.992 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 49.1 m 74.31 156.77 0.18 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 114.703 -1.135 . . . . 0.0 113.149 167.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' ASN . . . . . . . . . . . . . 57.0 t30 172.56 -61.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.421 -1.263 . . . . 0.0 107.799 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 689' ' ' LYS . 14.8 m-20 -157.26 34.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.717 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -138.34 159.81 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.332 -165.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 610' ' ' LYS . 0.2 OUTLIER -168.43 142.1 3.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 111.298 168.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 603' ' ' ALA . 3.1 mm -84.57 149.68 4.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.87 176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' B' ' 685' ' ' SER . 5.2 t70 -126.13 160.98 28.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' SER . . . . . . . . . . . . . 21.9 p -130.46 112.37 13.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' SER . . . . . 0.521 ' N ' HG23 ' B' ' 682' ' ' VAL . 6.4 m -134.82 116.3 14.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.64 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 682' ' ' VAL . 64.3 m -86.9 116.18 24.8 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 681' ' ' ASP . 1.3 p -57.61 111.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.01 -20.8 22.84 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.93 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -161.73 149.48 14.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.633 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ILE . . . . . 0.403 HG12 HG23 ' B' ' 630' ' ' ILE . 91.7 mt -128.13 123.93 61.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.576 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' B' ' 629' ' ' VAL . 24.4 mt-10 -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.97 0.414 . . . . 0.0 110.386 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.93 128.38 34.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' SER . . . . . . . . . . . . . 3.7 m -95.9 144.42 26.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -80.46 60.46 3.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.245 1.022 . . . . 0.0 109.86 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 53.5 m -146.41 146.99 29.4 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.456 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -48.06 110.03 0.29 Allowed 'Trans proline' 0 CA--C 1.516 -0.403 0 C-N-CA 123.143 2.562 . . . . 0.0 113.395 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' B' ' 646' ' ' LEU . . . 57.13 36.23 73.75 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.361 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' B' ' 646' ' ' LEU . 39.9 t -110.84 132.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 117.61 0.705 . . . . 0.0 111.986 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' ALA . . . . . . . . . . . . . . . -141.19 134.93 30.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.401 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' B' ' 620' ' ' GLU . 0.2 OUTLIER -101.97 122.38 54.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.422 0.629 . . . . 0.0 110.084 178.623 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' ILE . . . . . 0.479 ' HB ' ' CE2' ' B' ' 632' ' ' PHE . 9.4 mm -96.44 124.41 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.637 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' B' ' 641' ' ' VAL . 62.9 tt0 -95.31 110.45 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' B' ' 640' ' ' GLN . 99.2 m-85 -107.17 136.0 47.74 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.531 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' ALA . . . . . . . . . . . . . . . -87.88 98.67 11.61 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 168.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 47' ' ' SER . 58.5 t -77.83 129.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.78 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.13 -179.98 51.05 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.035 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.78 -21.04 61.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.474 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -82.26 -9.95 59.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.342 0.592 . . . . 0.0 110.55 176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 58.07 46.92 15.5 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.171 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -75.92 119.05 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' B' ' 632' ' ' PHE . 45.2 mt-30 -82.09 135.64 35.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.771 0.796 . . . . 0.0 112.424 -170.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 45' ' ' ALA . 66.5 t -128.43 126.07 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.254 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 56.4 m -102.2 108.39 19.76 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' B' ' 629' ' ' VAL . 5.9 p -113.49 123.29 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.08 0.467 . . . . 0.0 110.931 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' B' ' 629' ' ' VAL . 35.3 mt-10 -88.09 112.14 22.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.571 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.01 165.89 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.666 0.27 . . . . 0.0 110.621 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' B' ' 627' ' ' VAL . 7.4 mt -79.41 144.53 34.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' VAL . . . . . 0.692 ' HB ' ' SG ' ' B' ' 662' ' ' CYS . 30.3 m -69.28 -13.95 17.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.728 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.32 -15.9 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.55 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' B' ' 646' ' ' LEU . 9.8 m-85 -70.96 124.24 90.68 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' PRO . . . . . 0.595 ' HB2' ' CH2' ' B' ' 658' ' ' TRP . 79.4 Cg_endo -76.87 146.92 26.66 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.568 2.178 . . . . 0.0 111.622 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' PHE . . . . . 0.44 ' HA ' ' HG3' ' A' ' 42' ' ' PRO . 17.6 m-85 -129.95 108.23 9.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 -177.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 596' ' ' THR . 0.2 OUTLIER -70.38 123.11 20.93 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.957 HG12 HE21 ' B' ' 656' ' ' GLN . 1.8 t -105.57 139.67 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.922 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -73.3 75.34 1.35 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.322 1.049 . . . . 0.0 113.371 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' B' ' 596' ' ' THR . . . 99.52 -5.68 58.77 Favored Glycine 0 C--N 1.323 -0.145 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.086 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.957 HE21 HG12 ' B' ' 653' ' ' VAL . 2.3 mp0 -97.89 -33.76 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' GLY . . . . . . . . . . . . . . . 141.3 -168.83 25.29 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.063 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' B' ' 650' ' ' PRO . 0.0 OUTLIER -100.45 100.37 11.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' SER . . . . . . . . . . . . . 21.9 m -127.32 169.32 13.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.757 -168.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' B' ' 650' ' ' PRO . 96.8 p -143.87 164.97 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' CYS . . . . . 0.459 ' HB2' ' HA ' ' B' ' 647' ' ' VAL . 73.9 m -65.04 -23.12 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.797 0.332 . . . . 0.0 110.689 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' CYS . . . . . 0.692 ' SG ' ' HB ' ' B' ' 647' ' ' VAL . 43.9 m -156.43 86.1 3.02 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' PRO . . . . . 0.499 ' HB3' ' O ' ' B' ' 674' ' ' CYS . 68.0 Cg_exo -52.64 -34.1 62.1 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 123.532 2.821 . . . . 0.0 112.813 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.97 -55.26 32.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 669' ' ' LEU . 16.1 ttm180 -66.91 -39.97 87.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.21 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' THR . . . . . 0.478 HG21 ' SG ' ' B' ' 674' ' ' CYS . 5.0 m -61.28 -47.22 86.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.458 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' B' ' 671' ' ' ASP . 33.5 p -71.05 -36.07 72.17 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.261 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.17 -51.77 67.97 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 665' ' ' ARG . 14.0 mt -95.06 -35.82 11.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.837 -167.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -107.7 -3.49 19.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' B' ' 667' ' ' SER . 1.0 OUTLIER 64.71 3.35 1.96 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.693 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' B' ' 673' ' ' PRO . 21.3 tp -90.91 125.46 58.88 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.4 -174.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' B' ' 592' ' ' GLU . 31.5 Cg_exo -63.53 146.81 93.17 Favored 'Trans proline' 0 CA--C 1.515 -0.436 0 C-N-CA 123.348 2.699 . . . . 0.0 112.981 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' CYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 663' ' ' PRO . 37.6 m -149.53 148.63 29.6 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.795 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 10.5 m -87.5 155.3 20.06 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.705 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.6 107.02 9.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.071 0.463 . . . . 0.0 111.142 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 677' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.94 133.67 49.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.832 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 678' ' ' SER . . . . . . . . . . . . . 39.3 m -147.2 162.11 39.56 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 679' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' B' ' 616' ' ' VAL . 1.3 p -53.14 129.67 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.134 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 680' ' ' GLY . . . . . 0.41 ' H ' HG13 ' B' ' 616' ' ' VAL . . . 111.7 -16.31 26.2 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.375 -171.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 681' ' ' ASP . . . . . 0.876 ' HB3' HG11 ' B' ' 653' ' ' VAL . 81.8 m-20 -94.88 102.19 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.602 -0.352 . . . . 0.0 111.082 -178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 682' ' ' VAL . . . . . 0.738 HG13 ' NE2' ' B' ' 656' ' ' GLN . 0.2 OUTLIER -71.4 108.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.513 0.673 . . . . 0.0 111.13 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 683' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' B' ' 653' ' ' VAL . 99.3 m -77.77 150.19 34.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.844 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 684' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' B' ' 596' ' ' THR . 95.7 mt -82.45 112.18 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.133 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 685' ' ' SER . . . . . 0.59 ' HB3' ' HB3' ' B' ' 612' ' ' ASP . 23.1 t -93.47 119.82 33.01 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 686' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' B' ' 686' ' ' LEU . 0.2 OUTLIER -94.4 120.24 34.34 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 687' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' B' ' 610' ' ' LYS . 87.3 m -98.79 117.9 34.32 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 688' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -113.89 123.42 49.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.635 -177.12 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' B' ' 689' ' ' LYS . 7.3 mmpt? . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 stop_ save_